6364539 -OEChem-03282418062D 129132 0 1 0 0 0 0 0999 V2000 15.8794 -0.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1474 -0.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0192 0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2725 2.3429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2725 1.3429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4065 0.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5405 1.3429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2187 2.6476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4065 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6305 0.8361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2187 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5405 2.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8023 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4225 -0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5294 3.5982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2725 3.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6224 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7036 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5245 -0.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6382 1.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6870 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7557 0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5079 3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7474 -0.2128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8616 4.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8186 4.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7971 4.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1077 5.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0153 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0862 6.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4399 6.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2833 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4154 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -0.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 -0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 -0.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2192 -0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 -0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4872 -0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 -3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -4.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -5.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -6.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3625 0.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1459 0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2766 1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0584 2.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8050 3.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0080 3.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9677 0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7561 0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3284 2.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9299 2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2632 1.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2632 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6406 -0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0317 -0.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9227 3.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8925 3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2725 3.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6525 3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1118 1.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3137 1.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5269 -1.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2582 1.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6430 2.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0182 1.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2897 -1.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0880 -1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5512 1.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1441 0.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5285 3.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1217 3.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7462 -0.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3230 4.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4475 4.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4001 3.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7980 5.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2048 4.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8176 4.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4109 4.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5011 5.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2141 5.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6929 6.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9584 6.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9014 7.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0258 7.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9784 6.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6837 0.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8866 0.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0150 -1.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 -1.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 0.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1546 0.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 -1.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0800 -1.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2196 0.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4225 0.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 -1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 0.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 0.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6159 -1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 0.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 -2.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -1.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0044 -2.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -3.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2225 -3.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5338 -3.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 -3.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9496 -5.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3507 -4.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -4.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 -5.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -6.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4789 -6.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -6.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -6.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -7.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 1 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 3 29 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 50 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 51 1 1 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 52 1 6 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 53 1 6 0 0 0 9 12 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 1 0 0 0 11 13 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 19 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 23 1 0 0 0 0 15 25 1 6 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 24 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 24 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 26 1 0 0 0 0 23 78 1 0 0 0 0 23 79 1 0 0 0 0 24 80 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 27 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 28 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 33 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 34 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35 36 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 36 37 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37 38 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 38 39 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39 40 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40 41 2 0 0 0 0 40111 1 0 0 0 0 41 42 1 0 0 0 0 41112 1 0 0 0 0 42 43 1 0 0 0 0 42113 1 0 0 0 0 42114 1 0 0 0 0 43 44 1 0 0 0 0 43115 1 0 0 0 0 43116 1 0 0 0 0 44 45 1 0 0 0 0 44117 1 0 0 0 0 44118 1 0 0 0 0 45 46 1 0 0 0 0 45119 1 0 0 0 0 45120 1 0 0 0 0 46 47 1 0 0 0 0 46121 1 0 0 0 0 46122 1 0 0 0 0 47 48 1 0 0 0 0 47123 1 0 0 0 0 47124 1 0 0 0 0 48 49 1 0 0 0 0 48125 1 0 0 0 0 48126 1 0 0 0 0 49127 1 0 0 0 0 49128 1 0 0 0 0 49129 1 0 0 0 0 M END > 6364539 > 1 > 1010 > 3 > 0 > 24 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAAAAAADxSggAICCAAABACIAiBCCAAAAAAgAAAICAAAAAgQAAIAAQAgAAAEwAAMAAOAwPAPgAAAAAAAAADAAAQAACAAAQAACAAAAA== > [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate > carbonic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] ester > [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate > [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate > [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate > carbonic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] ester > InChI=1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1 > XMPIMLRYNVGZIA-TZOMHRFMSA-N > 17.4 > 680.61074641 > C46H80O3 > 681.1 > CCCCCCCCC=CCCCCCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C > CCCCCCCC/C=C\CCCCCCCCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C > 35.5 > 680.61074641 > 0 > 49 > 8 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 24 1 5 10 20 5 15 25 6 4 16 5 5 50 6 6 51 5 7 52 6 8 53 6 $$$$