44422314 -OEChem-04252422582D 82 85 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 10.8321 0.5437 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 2 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 9.1857 1.0818 0.0000 C 0 0 1 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 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 2 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 10.1642 1.2880 0.0000 C 0 0 1 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 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 9.7148 0.2632 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 9.3783 1.6711 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 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 9.9716 0.6987 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 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 11.4387 0.6716 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 21 1 1 1 0 0 0 1 72 1 0 0 0 0 24 2 1 1 0 0 0 2 75 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 1 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 6 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 33 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 1 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 6 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 21 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 24 1 0 0 0 0 17 27 1 6 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 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 22 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 30 2 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 M END > 44422314 > 1 > 802 > 2 > 2 > 4 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAEDAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAOAwPAPgAAAAAAAAABAAAYAADAAAQAACAAAAA== > (3S,5R,10S,13R,14R,17R)-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hex-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 > (3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,5R,10S,13R,14R,17R)-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hex-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/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1 > KKWJCGCIAHLFNE-KFPHZHIMSA-N > 7.8 > 442.381080833 > C30H50O2 > 442.7 > CC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(CC=C(C)C)O > C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](CC=C(C)C)O > 40.5 > 442.381080833 > 0 > 32 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 5 17 27 6 24 2 5 3 19 5 4 20 6 5 33 6 6 23 5 8 34 6 $$$$