Chem
J-GLOBAL ID：200907040597454130   Nikkaji number：J441.141B

Abrisapogenol D

アブリサポゲノール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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-26(3,18-31)17-24(33)27(20,4)14-15-29(19,30)6/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30+/m0/s1
InChI key： FNQMKNAFKUCFHU-UOPKKJJPSA-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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3)：
  • (20R)-オレアナ-12-エン-3β,22β,30-トリオール
  • (3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-11-(ヒドロキシメチル)-4,4,6a,6b,8a,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,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,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 (3)：
  • アブリサポゲノールD
  • Abrisapogenol D
  • (20R)-Olean-12-ene-3β,22β,30-triol
CAS registry number： 10379-65-4
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