Chem
J-GLOBAL ID：200907060452125644   Nikkaji number：J12.223H

Soyasapogenol A

ソヤサポゲノールA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChI key： CDDWAYFUFNQLRZ-KJVHGCRFSA-N
SMILES： CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • (4S)-オレアナ-12-エン-3β,21β,22β,23-テトラオール
  • (3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-(ヒドロキシメチル)-2,2,4a,6a,6b,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-3,4,10-トリオール
  • (3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol
Other name (5)：
  • ソヤサポゲノールA
  • ソヤ-サポゲノールA
  • Soyasapogenol A
  • Soya-sapogenol A
  • (4S)-Olean-12-ene-3β,21β,22β,23-tetrol
CAS registry number： 508-01-0
KEGG COMPOUND： C17419
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