44537827 -OEChem-04162418282D 81 84 0 1 0 0 0 0 0999 V2000 2.5357 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.1735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.1313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2868 -1.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.7291 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4120 -1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -4.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -4.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 1 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 6 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 1 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 6 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 6 0 0 0 17 48 1 0 0 0 0 18 49 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 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 2 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 M END > 44537827 > 1 > 767 > 1 > 1 > 4 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAEDAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAABAAAYAADAAAQAACAAAAA== > (5R,10S,13R,14R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (5R,10S,13R,14R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22?,25+,26?,28-,29-,30+/m1/s1 > CAHGCLMLTWQZNJ-BDNXGDPLSA-N > 8.9 > 426.386166214 > C30H50O > 426.7 > CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C > C[C@H](CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(C4(C)C)O)C)C)C > 20.2 > 426.386166214 > 0 > 31 > 5 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 3 17 26 6 2 18 5 3 19 6 4 11 3 5 22 5 7 33 6 $$$$