Chem
J-GLOBAL ID：200907022431308723   Nikkaji number：J16.225F

Sapogenol C

サポゲノールC
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： C30H48O2
Molecular formula furigana： C30-H48-O2
Molecular weight： 440.712
InChI： InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1
InChI key： VNGUCOGHCJHFID-FLZFTVBESA-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=C1
Systematic name  (4)：
  • 5α-オレアナ-12,21-ジエン-3β,24-ジオール
  • (4S)-オレアナ-12,21-ジエン-3β,24-ジオール
  • (3S,4S,4aR,6aR,6bS,8aS,12aR,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,11,12,12a,14,14a,14b-オクタデカヒドロピセン-3-オール
  • (3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,14,14a,14b-octadecahydropicen-3-ol
Other name (6)：
  • ソヤサポゲノールC
  • Soyasapogenol C
  • サポゲノールC
  • Sapogenol C
  • 5α-Oleana-12,21-diene-3β,24-diol
Show all
CAS registry number： 595-14-2
KEGG COMPOUND： C17422
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