325735 -OEChem-05231310252D 83 87 0 1 0 0 0 0 0999 V2000 10.5929 -1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 0.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.6372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0628 -1.1372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1968 -0.6372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9288 0.3628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2868 -1.1441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8228 0.8974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7288 0.3836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2787 -2.1857 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8228 -1.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -0.6581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1808 -2.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0329 1.9113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3433 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4911 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 -1.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5987 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3593 2.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -3.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6626 3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7337 -0.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 0.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3175 1.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 -2.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 -1.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 -1.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2664 -0.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 2.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 0.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0252 1.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 -1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 -1.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -2.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 -2.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 -1.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 2.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9285 2.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -2.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 -0.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0009 -0.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -3.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -3.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5905 -1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0001 0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2534 3.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8507 4.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 3.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9648 2.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1944 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 76 1 0 0 0 0 2 26 1 0 0 0 0 2 77 1 0 0 0 0 3 27 1 0 0 0 0 3 78 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 27 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 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 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 29 1 0 0 0 0 18 49 1 0 0 0 0 19 26 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 28 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 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 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 28 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 M END > 325735 > 1 > 819 > 3 > 3 > 2 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAEAIAAQAAQAAFgAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > 3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol > 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol > 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol > 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol > 1-isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol > InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3 > TWKNDDJHVQUEJF-UHFFFAOYSA-N > 7.7 > 458.375995 > C30H50O3 > 458.7162 > CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO > CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO > 60.7 > 458.375995 > 0 > 33 > 0 > 11 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 16 1 3 10 27 3 11 17 3 18 29 3 26 2 3 4 22 3 5 23 3 6 14 3 7 15 3 8 25 3 9 18 3 $$$$