Mrv1652309072218402D 33 37 0 0 1 0 999 V2000 -0.1105 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.8230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9337 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -5.2520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 9 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 8 32 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 1 0 0 0 M END > NP0252963 > NP-MRD > C[C@H]1C(=O)CC(=O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CO)CC[C@]3(C)CC[C@]12C > InChI=1S/C30H48O3/c1-19-20(32)16-21(33)24-27(19,4)9-8-22-28(24,5)13-15-30(7)23-17-25(2,18-31)10-11-26(23,3)12-14-29(22,30)6/h19,22-24,31H,8-18H2,1-7H3/t19-,22-,23+,24+,25-,26+,27+,28+,29+,30-/m0/s1 > JYGCOWYDBGRILN-DYCOWSAPSA-N > C30H48O3 > 456.711 > 456.360345406 > 3 > 81 > 55.067922912969166 > 1 > 1 > 0 > 0 > (4R,4aR,6aS,6bR,8aS,11S,12aR,12bS,14aR,14bS)-11-(hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethyl-docosahydropicene-1,3-dione > 6.424193503333333 > 0 > 5 > 0 > 18.21976030475437 > 7.125479858215456 > -1.3904762665594914 > 54.370000000000005 > 132.70289999999997 > 1 > 0 > (4R,4aR,6aS,6bR,8aS,11S,12aR,12bS,14aR,14bS)-11-(hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethyl-tetradecahydropicene-1,3-dione > 0 > NP0252963 > (4r,4ar,6as,6br,8as,11s,12ar,12bs,14ar,14bs)-11-(hydroxymethyl)-4,4a,6b,8a,11,12b,14a-heptamethyl-tetradecahydropicene-1,3-dione $$$$