5283627 -OEChem-05162402342D 70 73 0 1 0 0 0 0 0999 V2000 6.5469 -3.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5251 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4714 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6591 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7931 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6591 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4714 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7820 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5251 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1142 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3604 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3389 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6925 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3985 -2.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0087 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9746 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1451 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7811 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7001 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3967 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -4.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4574 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0703 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6635 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 3.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9455 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1540 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 6 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 6 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 6 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 1 0 0 0 12 18 1 0 0 0 0 12 20 1 6 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 19 1 0 0 0 0 15 19 2 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 2 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 M END > 5283627 > 1 > 670 > 1 > 0 > 5 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAGCAAAAAGgAAAAAADwSAgAACAAAAAACIAqBSAAAAAAAgAAAICAEAAEgIABIAAQAAAAAAgAAIgQMIiMCPgAAAAAAAAACAAAQAACAAAQAACAAAAA== > (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one > InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1 > TTXJJFWWNDJDNR-CZRUWHASSA-N > 8.7 > 382.323565959 > C27H42O > 382.6 > CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC=C4)C)C > C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C > 17.1 > 382.323565959 > 0 > 28 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 17 5 12 20 6 2 13 5 3 29 6 4 30 6 5 31 5 6 32 6 $$$$