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大豆甾醇B
soyasapogenol B
大豆皂醇B, soyasapogenin B, 21-HYDROXYPREGNENOLONE 3,21-DIACETATE, Soyasapogenol B, (3β,22β)-Olean-12-ene-3,22,24-triol, Olean-12-ene-3,22,24-triol, (3β,22β)-
CAS号: 595-15-3
IUPAC名称: (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
分子式: C30H50O3
分子量: 458.716
InChI: InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey: YOQAQNKGFOLRGT-UXXABWCISA-N
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O
EINECS: -
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