6441076 -OEChem-04242422022D 83 86 0 1 0 0 0 0 0999 V2000 2.5357 -3.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.6143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -2.6559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 0.1973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.2056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.1478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3472 -4.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8070 3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7272 -4.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 -4.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -4.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 1.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2685 3.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3930 3.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 2.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 2.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 1.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 1.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 2.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 3.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 69 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 32 1 1 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 33 1 6 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 6 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 1 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 1 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 35 1 6 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 36 1 6 0 0 0 9 10 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 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 20 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 6 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 2 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 1 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 30 1 0 0 0 0 28 31 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 31 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 M END > 6441076 > 1 > 678 > 1 > 1 > 4 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,1R,4R)-1,3,4,5-tetramethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,1R,4R)-1,3,4,5-tetramethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-28,31H,9-16H2,1-8H3/b19-17+/t20-,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1 > LPFIPZJIWTZLEY-DAABMGJCSA-N > 9.9 > 428.401816278 > C30H52O > 428.7 > CC1C2CCC3C4CCC(C4(CCC3C2(CCC1O)C)C)C(C)C=C(C)C(C)C(C)C > C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC[C@@H]1O)C)C)[C@H](C)/C=C(\C)/[C@H](C)C(C)C > 20.2 > 428.401816278 > 0 > 31 > 11 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 5 16 22 6 19 23 6 2 32 5 26 29 5 3 33 6 4 34 6 5 17 5 6 18 5 7 35 6 8 36 6 $$$$