Chem
J-GLOBAL ID：200907096665149185   Nikkaji number：J16.224H

Soyasapogenol B

ソヤサポゲノールB
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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
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
InChI key： YOQAQNKGFOLRGT-UXXABWCISA-N
SMILES： CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (4)：
  • (4S)-オレアナ-12-エン-3β,22β,24-トリオール
  • オレアナ-12-エン-3β,22β,24-トリオール
  • (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(ヒドロキシメチル)-4,6a,6b,8a,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3,9-ジオール
  • (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,9-diol
Other name (6)：
  • ソヤサポゲノールB
  • Soyasapogenol B
  • (4S)-Olean-12-ene-3β,22β,24-triol
  • サポゲノールB
  • Sapogenol B
Show all
CAS registry number： 595-15-3
Regulation number (1)：
  • 7-(1)-797
KEGG COMPOUND： C08980
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