Chem
J-GLOBAL ID：200907081945079428   Nikkaji number：J16.276K

Soyasapogenol E

ソヤサポゲノールE
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/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/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
InChI key： FNRBOAGVUNHDIL-LMZUXBMISA-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(=O)C1
Systematic name  (4)：
  • 3β,24-ジヒドロキシオレアナ-12-エン-22-オン
  • (4S)-3β,24-ジヒドロキシオレアナ-12-エン-22-オン
  • (4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-ヒドロキシ-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-4-オン
  • (4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-10-hydroxy-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-icosahydropicen-4-one
Other name (3)：
  • ソヤサポゲノールE
  • Soyasapogenol E
  • (4S)-3β,24-Dihydroxyolean-12-en-22-one
CAS registry number： 6750-59-0
KEGG COMPOUND： C17420
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