Mrv1652304282211312D 23 25 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 3.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -3.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 1 0 0 0 7 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 5 20 1 6 0 0 0 3 21 1 1 0 0 0 21 22 1 0 0 0 0 3 23 1 6 0 0 0 M END > NP0065290 > NP-MRD > C[C@]1(CO)CCC[C@@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12 > InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)9-4-10-20(17,3)16(14)7-6-15-11-18(22)23-12-15/h11,16-17,21H,1,4-10,12-13H2,2-3H3/t16-,17-,19+,20-/m0/s1 > GWLQAIIVWXSSCM-XEYPJELSSA-N > C20H30O3 > 318.457 > 318.219494826 > 2 > 53 > 36.09325605660284 > 1 > 1 > 0 > 1 > 4-{2-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one > 3.78 > 3.815847129 > -4.54 > 0 > 3 > 0 > 18.592337011879316 > 7.47090590865466 > -1.2275106884178482 > 46.53 > 91.97839999999997 > 4 > 1 > 9.08e-03 g/l > 4-{2-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-5H-furan-2-one > 0 > NP0065290 > Medigenin $$$$