Chem
J-GLOBAL ID：200907002058986103   Nikkaji number：J348.102F

Abrisapogenol C

アブリサポゲノール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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)32)9-8-18-19-16-26(3,17-31)23(33)24(34)27(19,4)14-15-29(18,30)6/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24+,26+,27+,28-,29+,30+/m0/s1
InChI key： CSHFZVTYURMCRK-LMDNQKESSA-N
SMILES： CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CO)[C@@H](O)[C@@H](O)[C@]3(C)CC[C@@]12C
Systematic name  (4)：
  • (20R)-オレアナ-12-エン-3β,21β,22β,30-テトラオール
  • オレアナ-12-エン-3β,21β,22β,29-テトラオール
  • (2R,3R,4S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2-(ヒドロキシメチル)-2,4a,6a,6b,9,9,12a-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-3,4,10-トリオール
  • (2R,3R,4S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol
Other name (3)：
  • Abrisapogenol C
  • アブリサポゲノールC
  • Olean-12-ene-3β,21β,22β,29-tetrol
CAS registry number： 129273-44-5
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