6439004 -OEChem-04252405272D 80 83 0 1 0 0 0 0 0999 V2000 2.5357 -3.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 4.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -0.1389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.9920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4586 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3599 -1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.9993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -4.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -4.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 3.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -2.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 -3.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -2.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -3.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 -0.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6193 -3.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 0.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -4.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -4.7179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -4.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 2.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 3.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6599 4.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 71 1 0 0 0 0 2 31 1 0 0 0 0 2 80 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 1 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 6 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 1 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 20 2 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 19 2 0 0 0 0 12 19 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 24 1 0 0 0 0 14 27 1 6 0 0 0 14 41 1 0 0 0 0 15 22 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 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 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 28 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 30 2 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 M END > 6439004 > 1 > 832 > 2 > 2 > 5 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAECAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgIFAIAAQAAUAAEgAAIkAOAwPAPgAAAAAAAAABAAAYAADAAAQAACAAAAA== > (3S,10S,13R,14R,17S)-17-[(E,1R)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,10S,13R,14R,17S)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,10S,13R,14R,17S)-4,4,10,13,14-pentamethyl-17-[(E,2R)-6-methyl-7-oxidanyl-hept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,10S,13R,14R,17S)-17-[(E,1R)-6-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol > InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22+,25?,26+,28-,29-,30+/m1/s1 > AOXXVRDKZLRGTJ-CUJMEZSJSA-N > 7.4 > 440.365430770 > C30H48O2 > 440.7 > CC(CCC=C(C)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C > C[C@H](CC/C=C(\C)/CO)[C@@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C > 40.5 > 440.365430770 > 0 > 32 > 6 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 5 14 27 6 3 16 5 4 18 6 5 33 5 6 23 5 9 17 3 $$$$