9903 -OEChem-03282410072D 67 70 0 1 0 0 0 0 0999 V2000 2.5357 -3.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.2992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.0055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 3.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 6 0 0 0 1 64 1 0 0 0 0 2 27 1 0 0 0 0 2 67 1 0 0 0 0 3 27 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 1 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 6 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 1 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 31 1 6 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 11 34 1 1 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 6 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 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 65 1 0 0 0 0 26 66 1 0 0 0 0 M END > 9903 > 1 > 574 > 3 > 2 > 4 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAEBIAAAAAQAAEAAAAAAGIyPCPgAAAAAAAAADAAAYAACAAAQAACAAAAA== > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid > InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 > SMEROWZSTRWXGI-HVATVPOCSA-N > 6.3 > 376.29774513 > C24H40O3 > 376.6 > CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C > C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C > 57.5 > 376.29774513 > 0 > 27 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 1 6 11 34 5 19 25 6 4 18 5 5 28 6 6 29 5 7 30 6 8 21 5 9 31 6 $$$$