6440821 -OEChem-05142404252D 160170 0 1 0 0 0 0 0999 V2000 20.3439 7.6818 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.2302 3.1221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 6.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 3.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9737 3.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6948 4.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2222 0.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 7.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2793 4.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3545 6.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8117 -3.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2598 4.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2930 6.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -4.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7818 4.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3947 8.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3426 7.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3452 7.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6786 2.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1240 3.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3364 2.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 5.4817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3126 6.1897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0402 4.5578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7112 5.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7336 3.2512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1017 1.9789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3642 0.2550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8098 3.6339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0640 1.5803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0707 4.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 1.3317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3666 -0.1603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8855 2.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5256 5.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4271 4.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7336 5.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5815 6.5658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8127 7.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3606 5.4238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8098 5.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4188 6.4864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8206 7.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4076 4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 -1.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3326 6.4037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2720 5.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6401 -1.9732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3998 7.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -1.5407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2748 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9299 7.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2290 4.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 5.1647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3261 6.3175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4271 4.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3905 6.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3368 5.0269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4026 6.2278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8833 -3.8617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7957 -3.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3351 4.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 -4.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7852 4.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7835 4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 -4.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -5.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -6.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 -7.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -7.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 -8.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1967 -8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 3.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9765 4.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 2.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 2.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9905 3.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 1.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 3.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6177 4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1582 1.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 -0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1774 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 2.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5372 4.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 5.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1111 6.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 6.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6859 7.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8506 7.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 7.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 4.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 6.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 5.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4555 7.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3271 7.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5852 7.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9779 4.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7744 4.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8233 -1.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1202 -1.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3693 7.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2156 4.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 -2.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8191 7.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0215 7.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -1.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 6.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0376 6.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 6.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 7.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6926 7.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3571 6.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 0.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7993 4.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5958 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2066 4.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3628 7.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 5.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 4.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 -1.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -2.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8098 7.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0122 7.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 2.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9225 5.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 -4.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9291 5.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 5.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2311 3.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0633 3.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3394 4.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 -3.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1895 3.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8552 3.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 -5.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -5.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 -6.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3879 -5.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -5.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9468 8.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 -7.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -6.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -7.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -8.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2976 2.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 -8.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -9.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 -8.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 1 19 2 0 0 0 0 1 20 2 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 2 22 2 0 0 0 0 2 23 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 27 1 0 0 0 0 6 37 1 0 0 0 0 7 32 1 0 0 0 0 7 35 1 0 0 0 0 8 30 1 0 0 0 0 8 52 1 0 0 0 0 9 40 1 0 0 0 0 9 44 1 0 0 0 0 10 42 1 0 0 0 0 10 49 1 0 0 0 0 11 48 1 0 0 0 0 11 58 1 0 0 0 0 34 12 1 6 0 0 0 12134 1 0 0 0 0 13 50 1 0 0 0 0 13 64 1 0 0 0 0 14 57 1 0 0 0 0 14 62 1 0 0 0 0 63 15 1 6 0 0 0 67 16 1 1 0 0 0 16150 1 0 0 0 0 17 70 1 0 0 0 0 18152 1 0 0 0 0 21157 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 24 53 1 1 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 25 54 1 1 0 0 0 26 33 1 0 0 0 0 26 79 1 6 0 0 0 27 33 1 0 0 0 0 27 80 1 6 0 0 0 28 31 1 0 0 0 0 28 36 1 0 0 0 0 28 81 1 6 0 0 0 29 32 1 0 0 0 0 29 34 1 0 0 0 0 29 82 1 1 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 30 55 1 1 0 0 0 31 38 1 0 0 0 0 31 83 1 1 0 0 0 32 36 1 0 0 0 0 32 84 1 6 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 87 1 0 0 0 0 35 47 1 0 0 0 0 35 88 1 6 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 40 1 0 0 0 0 37 46 1 0 0 0 0 37 91 1 6 0 0 0 38 43 1 0 0 0 0 38 59 1 1 0 0 0 38 92 1 0 0 0 0 39 43 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 40 45 1 0 0 0 0 40 95 1 1 0 0 0 41 45 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 0 0 0 0 42 98 1 6 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44 51 1 0 0 0 0 44101 1 1 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 47 50 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 48108 1 1 0 0 0 49 56 1 0 0 0 0 49109 1 6 0 0 0 50 52 1 0 0 0 0 50110 1 6 0 0 0 51111 1 0 0 0 0 51112 1 0 0 0 0 52 60 1 0 0 0 0 52113 1 1 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56 57 1 0 0 0 0 56123 1 0 0 0 0 56124 1 0 0 0 0 57 58 1 0 0 0 0 57125 1 6 0 0 0 58 61 1 0 0 0 0 58126 1 1 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 60 65 1 0 0 0 0 60130 1 0 0 0 0 60131 1 0 0 0 0 61 63 1 0 0 0 0 61132 1 0 0 0 0 61133 1 0 0 0 0 62 63 1 0 0 0 0 62 66 1 0 0 0 0 62 68 1 6 0 0 0 63135 1 0 0 0 0 64 65 1 0 0 0 0 64 67 1 0 0 0 0 64136 1 1 0 0 0 65 69 2 0 0 0 0 66 70 1 0 0 0 0 66137 1 0 0 0 0 66138 1 0 0 0 0 67 71 1 0 0 0 0 67 72 1 0 0 0 0 68139 1 0 0 0 0 68140 1 0 0 0 0 68141 1 0 0 0 0 69142 1 0 0 0 0 69143 1 0 0 0 0 70144 1 0 0 0 0 70145 1 0 0 0 0 71146 1 0 0 0 0 71147 1 0 0 0 0 71148 1 0 0 0 0 72 73 2 0 0 0 0 72149 1 0 0 0 0 73 74 1 0 0 0 0 73151 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 75 77 1 0 0 0 0 75153 1 0 0 0 0 75154 1 0 0 0 0 76155 1 0 0 0 0 76156 1 0 0 0 0 77 78 2 0 0 0 0 77158 1 0 0 0 0 78159 1 0 0 0 0 78160 1 0 0 0 0 M END > 6440821 > 1 > 2540 > 21 > 4 > 11 > AAADcfB8PgBgAAAAAAAAAAAAAAAAAAAAAAAkSJEiRIASAACQAAAAGgAACAAADVSggAICAAAABoCAAiBCADAAAAAgAAAICAAAAAgJFAIAIQACUAAFwAALsAPA4PwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(1R,2E)-1-hydroxy-1-methyl-4-methylene-hepta-2,6-dienyl]-13,25,27,30,35-pentamethyl-39-methylene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate > sulfuric acid [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methyleneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] ester > [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate > [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate > [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-13,25,27,30,35-pentamethyl-39-methylidene-40-[(2R,3E)-5-methylidene-2-oxidanyl-octa-3,7-dien-2-yl]-34-oxidanyl-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate > sulfuric acid [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(1R,2E)-1-hydroxy-1-methyl-4-methylene-hepta-2,6-dienyl]-13,25,27,30,35-pentamethyl-39-methylene-13-(2-sulfoxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] ester > InChI=1S/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1 > HCYDZFJGUKMTQB-AVHIVUAZSA-N > 3.4 > 1142.47900197 > C55H82O21S2 > 1143.4 > CC1CCC2(C(CC3C(O2)(CCC4C(O3)CC5C(O4)CC6C(O5)CC7C(O6)CC(C(O7)(C)CCOS(=O)(=O)O)OS(=O)(=O)O)C)OC8C1OC9C(C8)OC1CC2C(CC(=C)C(O2)C(C)(C=CC(=C)CC=C)O)OC1(C9O)C)C > C[C@H]1CC[C@]2([C@@H](C[C@H]3[C@](O2)(CC[C@H]4[C@H](O3)C[C@H]5[C@H](O4)C[C@H]6[C@H](O5)C[C@H]7[C@H](O6)C[C@@H]([C@@](O7)(C)CCOS(=O)(=O)O)OS(=O)(=O)O)C)O[C@@H]8[C@@H]1O[C@@H]9[C@@H](C8)O[C@H]1C[C@@H]2[C@H](CC(=C)[C@H](O2)[C@@](C)(/C=C/C(=C)CC=C)O)O[C@@]1([C@@H]9O)C)C > 286 > 1142.47900197 > 0 > 78 > 26 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 34 12 6 63 15 6 67 16 5 24 53 5 25 54 5 26 79 6 27 80 6 28 81 6 29 82 5 30 55 5 31 83 5 32 84 6 35 88 6 37 91 6 38 59 5 40 95 5 42 98 6 44 101 5 48 108 5 49 109 6 50 110 6 52 113 5 57 125 6 58 126 5 62 68 6 64 136 5 $$$$