Mrv1652309072221092D 33 37 0 0 1 0 999 V2000 7.3145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4767 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 -1.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6907 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 1 0 0 0 10 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 19 32 1 0 0 0 0 8 32 1 0 0 0 0 32 33 1 6 0 0 0 M END > NP0254872 > NP-MRD > C[C@H]1[C@@H](C)C2CC[C@]3(C)C(C=CC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)=C2[C@](C)(O)[C@@H]1C > InChI=1S/C31H50O2/c1-18-19(2)21-12-16-29(7)22(26(21)31(9,33)20(18)3)10-11-24-28(6)15-14-25(32)27(4,5)23(28)13-17-30(24,29)8/h10-11,18-21,23-25,32-33H,12-17H2,1-9H3/t18-,19+,20+,21?,23?,24?,25?,28-,29+,30+,31+/m0/s1 > DYZIUNFQJFGHOI-HCHZMNDQSA-N > C31H50O2 > 454.739 > 454.38108085 > 2 > 83 > 56.164670845610864 > 1 > 2 > 0 > 0 > (1R,2R,3S,4R,6aS,6bR,12aS)-1,2,3,4,6a,6b,9,9,12a-nonamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-1,10-diol > 6.099224636999997 > 0 > 5 > 0 > 19.489420328243167 > -0.24972946156837572 > 40.46 > 138.981 > 0 > 0 > (1R,2R,3S,4R,6aS,6bR,12aS)-1,2,3,4,6a,6b,9,9,12a-nonamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b-dodecahydro-2H-picene-1,10-diol > 0 > NP0254872 > (1r,2r,3s,4r,6as,6br,12as)-1,2,3,4,6a,6b,9,9,12a-nonamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b-dodecahydro-2h-picene-1,10-diol $$$$