222284 -OEChem-04150811162D 80 83 0 1 0 0 0 0 0999 V2000 2.5357 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5179 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.0108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7640 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0997 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0135 -2.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7587 -2.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -1.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6654 -0.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0601 2.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 2.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5949 0.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3525 0.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9719 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7064 1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2276 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 1 68 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 31 1 6 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 1 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 33 1 6 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 6 0 0 0 7 10 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 1 0 0 0 9 11 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 41 1 0 0 0 0 11 42 1 0 0 0 0 12 17 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 6 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 24 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 25 24 1 1 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 M END > 222284 > 1 > 634 > 1 > 1 > 6 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAyYIAAAAAAAGCIAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAOAwPAPgAAAAAAAAADAAAQAACAAAQAACAAAAA== > (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 > 9.1 > 414.386166 > C29H50O > 414.7067 > CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C > CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C > 20.2 > 414.386166 > 0 > 30 > 9 > 0 > 0 > 0 > 0 > 1 > 1 > 22 1 5 13 23 6 2 14 5 25 24 5 3 31 6 4 32 5 5 33 6 6 34 6 8 18 5 $$$$