Chem
J-GLOBAL ID：200907062884914170   Nikkaji number：J20.479J

Soyasapogenol D

ソヤサポゲノールD
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： C31H52O3
Molecular formula furigana： C31-H52-O3
Molecular weight： 472.754
InChI： InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)18-25(26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27+,28+,29-,30-,31-/m1/s1
InChI key： VXNFVPZRNLQVEC-HLMBJUDCSA-N
SMILES： CO[C@@H]1C[C@]2(C)CC[C@]3(C)C(=C2CC1(C)C)CC[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@@]31C
Systematic name  (3)：
  • (4S)-21α-メトキシオレアナ-13(18)-エン-3β,24-ジオール
  • (3S,4S,4aR,6aR,6bS,8aS,10R,14aR,14bR)-4-(ヒドロキシメチル)-10-メトキシ-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,9,10,11,12,13,14,14a,14b-イコサヒドロピセン-3-オール
  • (3S,4S,4aR,6aR,6bS,8aS,10R,14aR,14bR)-4-(hydroxymethyl)-10-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicen-3-ol
Other name (3)：
  • ソヤサポゲノールD
  • Soyasapogenol D
  • (4S)-21α-Methoxyolean-13(18)-ene-3β,24-diol
CAS registry number： 65892-76-4
KEGG COMPOUND： C17423
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