Chem
J-GLOBAL ID：200907076519291980   Nikkaji number：J10.667D

A2-Barrigenol

カメリアゲニンA
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)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24+,27-,28+,29+,30+/m0/s1
InChI key： CTNHZEZBBGIUJB-HRQAAHFGSA-N
SMILES： CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[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  (4)：
  • 5α-オレアナ-12-エン-3β,16α,22α,28-テトラオール
  • オレアナ-12-エン-3β,16α,22α,28-テトラオール
  • (3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,6b,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3,8,9-トリオール
  • (3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8,9-triol
Other name (18)：
  • カメリアゲニンA
  • テアサポゲノールD
  • バリゲノールA2
  • A2-バリゲノール
  • プロシワリゲニンPA2
Show all
CAS registry number： 53227-91-1
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