Mrv1652304282222432D 18 20 0 0 1 0 999 V2000 3.2346 0.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6202 -0.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1815 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 -1.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -0.8855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9714 -0.1562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4102 0.5424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7115 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 -1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 0.7406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8090 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3744 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 2.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 1 0 0 0 5 11 1 1 0 0 0 5 12 1 6 0 0 0 2 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 15 1 1 0 0 0 14 16 1 1 0 0 0 14 17 1 6 0 0 0 17 18 1 0 0 0 0 M END > NP0075431 > NP-MRD > C[C@]12CC[C@H]1[C@@](C)(O)C(=O)[C@H]1C[C@@](C)(CO)C[C@H]21 > InChI=1S/C15H24O3/c1-13(8-16)6-9-10(7-13)14(2)5-4-11(14)15(3,18)12(9)17/h9-11,16,18H,4-8H2,1-3H3/t9-,10-,11+,13+,14+,15+/m0/s1 > HSASJPCIWZMQPM-PAUVFPHUSA-N > C15H24O3 > 252.354 > 252.172544633 > 3 > 42 > 28.479020590385517 > 1 > 2 > 0 > 1 > (2aR,3R,4aS,6S,7aS,7bR)-3-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-decahydro-1H-cyclobuta[e]inden-4-one > 1.60 > 1.6553505666666655 > -2.46 > 0 > 3 > 0 > 18.227891563822848 > 13.02787307499301 > -1.3869201420679178 > 57.53 > 68.8663 > 1 > 1 > 8.73e-01 g/l > (2aR,3R,4aS,6S,7aS,7bR)-3-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-hexahydro-1H-cyclobuta[e]inden-4-one > 0 > NP0075431 > (+)-Illudiolone $$$$