Mrv1652309052212072D 25 27 0 0 1 0 999 V2000 -1.5178 -1.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7425 -2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7770 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4587 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 -2.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -2.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1895 -3.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 6 0 0 0 3 4 1 1 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 6 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 13 20 1 0 0 0 0 9 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 24 23 1 6 0 0 0 7 24 1 0 0 0 0 24 25 1 0 0 0 0 3 25 1 0 0 0 0 M END > NP0211720 > NP-MRD > CC(=O)OC[C@@]1(C)CCC[C@H]2[C@]3(C)CC[C@](C)(C[C@H]3CC[C@]12O)C=C > InChI=1S/C22H36O3/c1-6-19(3)12-13-21(5)17(14-19)9-11-22(24)18(21)8-7-10-20(22,4)15-25-16(2)23/h6,17-18,24H,1,7-15H2,2-5H3/t17-,18+,19-,20-,21-,22-/m1/s1 > ZAMHIABCDPVQIY-DRGMGAIOSA-N > C22H36O3 > 348.527 > 348.266445019 > 2 > 61 > 41.63486704430571 > 1 > 1 > 0 > 1 > [(1R,4aS,4bR,7R,8aR,10aR)-7-ethenyl-10a-hydroxy-1,4b,7-trimethyl-tetradecahydrophenanthren-1-yl]methyl acetate > 4.360079680000001 > 0 > 3 > 0 > 14.104320620565762 > -3.190570160564535 > 46.53 > 100.14489999999998 > 4 > 1 > [(1R,4aS,4bR,7R,8aR,10aR)-7-ethenyl-10a-hydroxy-1,4b,7-trimethyl-decahydrophenanthren-1-yl]methyl acetate > 0 > NP0211720 > [(1r,4as,4br,7r,8ar,10ar)-7-ethenyl-10a-hydroxy-1,4b,7-trimethyl-decahydrophenanthren-1-yl]methyl acetate $$$$