Chem
J-GLOBAL ID：200907067073568428   Nikkaji number：J406.825D

Abrisapogenol E

アブリサポゲノール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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27-,28-,29+,30+/m0/s1
InChI key： VEDTYRJAYMXHSG-CGMFVZHESA-N
SMILES： C[C@]1(CO)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  (3)：
  • (4R,20R)-オレアナ-12-エン-3β,22β,24,30-テトラオール
  • (3S,4R,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-ビス(ヒドロキシメチル)-4,6a,6b,8a,11,14b-ヘキサメチル-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,4R,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-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 (3)：
  • アブリサポゲノールE
  • Abrisapogenol E
  • (4R,20R)-Olean-12-ene-3β,22β,24,30-tetrol
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