16149114 -OEChem-05181307142D 109143 0 1 0 0 0 0 0999 V2000 9.8717 -1.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4344 -0.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 0.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -0.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5347 -1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6872 -4.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -4.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.4605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 0.4952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 0.9744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.9952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7311 -0.0677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2066 -0.0053 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 -1.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 0.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0319 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8729 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4920 -0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8246 -1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 4.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2816 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -2.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2605 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 5.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7279 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 5.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5561 -2.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6159 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4043 -3.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4218 -3.1778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5583 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2286 2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4598 -5.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 -5.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3428 -3.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8891 -2.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9536 -2.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -2.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5131 1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9959 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 2.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9538 1.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -3.5339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6308 -3.4887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7657 0.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1426 1.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3509 1.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6266 2.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 -5.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8153 -6.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9678 -5.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 -5.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -5.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7795 -5.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 77 1 0 0 0 0 2 36 1 0 0 0 0 2 78 1 0 0 0 0 3 37 1 0 0 0 0 3 79 1 0 0 0 0 4 38 1 0 0 0 0 4 80 1 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 37 2 0 0 0 0 8 38 2 0 0 0 0 9 81 1 0 0 0 0 9 85 1 0 0 0 0 10 82 1 0 0 0 0 10 85 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 15 35 1 0 0 0 0 15 37 1 0 0 0 0 16 36 1 0 0 0 0 16 38 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 25 2 0 0 0 0 20 31 1 0 0 0 0 21 26 2 0 0 0 0 21 32 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 29 2 0 0 0 0 23 33 1 0 0 0 0 24 30 2 0 0 0 0 24 34 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 29 1 0 0 0 0 27 41 1 0 0 0 0 28 30 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 31 33 2 0 0 0 0 31 45 1 0 0 0 0 32 34 2 0 0 0 0 32 46 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 39 40 1 0 0 0 0 39 51 2 0 0 0 0 40 52 2 0 0 0 0 41 42 2 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 47 2 0 0 0 0 43 53 1 0 0 0 0 44 48 2 0 0 0 0 44 54 1 0 0 0 0 45 51 1 0 0 0 0 45 55 2 0 0 0 0 46 52 1 0 0 0 0 46 56 2 0 0 0 0 47 61 1 0 0 0 0 48 62 1 0 0 0 0 49 53 2 0 0 0 0 49 59 1 0 0 0 0 50 54 2 0 0 0 0 50 60 1 0 0 0 0 51 57 1 0 0 0 0 52 58 1 0 0 0 0 53 63 1 0 0 0 0 54 64 1 0 0 0 0 55 59 1 0 0 0 0 55 65 1 0 0 0 0 56 60 1 0 0 0 0 56 66 1 0 0 0 0 57 58 1 0 0 0 0 57 65 2 0 0 0 0 58 66 2 0 0 0 0 59 69 2 0 0 0 0 60 70 2 0 0 0 0 61 62 2 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 67 2 0 0 0 0 63 69 1 0 0 0 0 64 68 2 0 0 0 0 64 70 1 0 0 0 0 65 72 1 0 0 0 0 66 73 1 0 0 0 0 67 71 1 0 0 0 0 68 71 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 71 76 2 0 0 0 0 72 73 1 0 0 0 0 72 74 2 0 0 0 0 73 75 2 0 0 0 0 74 76 1 0 0 0 0 75 76 1 0 0 0 0 77 81 1 0 0 0 0 77 88 1 0 0 0 0 77 89 1 0 0 0 0 78 82 1 0 0 0 0 78 90 1 0 0 0 0 78 91 1 0 0 0 0 79 83 1 0 0 0 0 79 92 1 0 0 0 0 79 93 1 0 0 0 0 80 84 1 0 0 0 0 80 94 1 0 0 0 0 80 95 1 0 0 0 0 81 82 1 0 0 0 0 81 96 1 1 0 0 0 82 97 1 6 0 0 0 83 98 1 0 0 0 0 83 99 1 0 0 0 0 83100 1 0 0 0 0 84101 1 0 0 0 0 84102 1 0 0 0 0 84103 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 86104 1 0 0 0 0 86105 1 0 0 0 0 86106 1 0 0 0 0 87107 1 0 0 0 0 87108 1 0 0 0 0 87109 1 0 0 0 0 M END > 16149114 > 1 > 5870 > 10 > 0 > 6 > AAADceB8PAAAAAAAAAAAAAAAGDAAAaMECBAwQIECBAgAAAABAAAAGgAAAAAADhSgmAICCIAABACIAgDQCAACAAAgAAAAiAEAAIgZIDaIEBCiIAAloAAOiAfIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C77H22O10/c1-5-82-67(78)76-69(80)84-7-9-10(87-71(3,4)86-9)8-85-70(81)77(68(79)83-6-2)73-61-50-40-30-20-14-11-12-17-23-19-13(11)15-16(14)22-28-27-21(15)31-29(19)39-33(23)43-35-25(17)26-18(12)24(20)34(40)44-36(26)46-45(35)55-53(43)60-49(39)51-41(31)37(27)47-48-38(28)42(32(22)30)52(50)63(73)58(48)59-57(47)62(51)72(60,76)74(76)64(55)65(56(46)54(44)61)75(73,77)66(59)74/h9-10H,5-8H2,1-4H3/t9-,10-,72?,73?,74?,75?,76?,77?/m0/s1 > RATPVBMJCDEBHJ-XXRWIOFVSA-N > 12.3 > 1106.121297 > C77H22O10 > 1106.99258 > CCOC(=O)C12C(=O)OCC3C(COC(=O)C4(C56C47C8=C9C4=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%11C4=C4C9=C5C5=C9C6=C6C%17=C%18C9=C9C%19=C%18C%18=C(C%15=C%15C%18=C%17C%17=C%18C%15=C%14C%14=C%12C%10=C8C1(C2%14%18)C7=C%176)C1=C%16C2=C%13C%11=C6C4=C5C9=C6C2=C1%19)C(=O)OCC)OC(O3)(C)C > CCOC(=O)C12C(=O)OC[C@H]3[C@H](COC(=O)C4(C56C47C8=C9C4=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%11C4=C4C9=C5C5=C9C6=C6C%17=C%18C9=C9C%19=C%18C%18=C(C%15=C%15C%18=C%17C%17=C%18C%15=C%14C%14=C%12C%10=C8C1(C2%14%18)C7=C%176)C1=C%16C2=C%13C%11=C6C4=C5C9=C6C2=C1%19)C(=O)OCC)OC(O3)(C)C > 124 > 1106.121297 > 0 > 87 > 2 > 6 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 18 3 12 19 3 13 23 3 14 24 3 15 37 3 16 38 3 18 19 8 18 27 8 19 28 8 20 25 8 20 31 8 21 26 8 21 32 8 22 25 8 22 26 8 23 29 8 23 33 8 24 30 8 24 34 8 25 39 8 26 40 8 27 29 8 27 41 8 28 30 8 28 42 8 29 43 8 30 44 8 31 33 8 31 45 8 32 34 8 32 46 8 33 49 8 34 50 8 39 40 8 39 51 8 40 52 8 41 42 8 41 47 8 42 48 8 43 47 8 43 53 8 44 48 8 44 54 8 45 51 8 45 55 8 46 52 8 46 56 8 47 61 8 48 62 8 49 53 8 49 59 8 50 54 8 50 60 8 51 57 8 52 58 8 53 63 8 54 64 8 55 59 8 55 65 8 56 60 8 56 66 8 57 58 8 57 65 8 58 66 8 59 69 8 60 70 8 61 62 8 61 67 8 62 68 8 63 67 8 63 69 8 64 68 8 64 70 8 65 72 8 66 73 8 67 71 8 68 71 8 69 74 8 70 75 8 71 76 8 72 73 8 72 74 8 73 75 8 74 76 8 75 76 8 81 96 5 82 97 6 $$$$