柴胡甙元 A
Saikogenin A
Oleana-11,13(18)-diene-3,16,23,28-tetrol, (3β,16β)-, (3β,4α,16β)-Oleana-11,13(18)-diene-3,16,23,28-tetrol, saikogenin A, (3β,16β)-Oleana-11,13(18)-diene-3,16,23,28-tetrol
CAS号: 5092-09-1
IUPAC名称: (3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
分子式: C30H48O4
分子量: 472.700
InChI: InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21-,22-,23+,24+,26+,27+,28-,29-,30-/m1/s1
InChIKey: QGNVMEXLLPGQEV-HSFRRAFJSA-N
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)CO)(C)C)C)(C)CO)O
EINECS: -
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