Chem
J-GLOBAL ID：200907062112231183   Nikkaji number：J82.277I

Barrinic acid

バリン酸
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： C30H46O7
Molecular formula furigana： C30-H46-O7
Molecular weight： 518.691
InChI： InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1
InChI key： BBJQJXRZAZWPBL-SOTYDYGCSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2[C@@H]1O)C(=O)O
Systematic name  (4)：
  • 2α,3β,19α-トリヒドロキシ-5α-オレアナ-12-エン-23,28-二酸
  • 2α,3β,19α-トリヒドロキシオレアナ-12-エン-23,28-二酸
  • (2R,3R,4S,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3,12-トリヒドロキシ-4,6a,6b,11,11,14b-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-4,8a-ジカルボン酸
  • (2R,3R,4S,4aR,6aR,6bS,8aR,12S,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
Other name (4)：
  • Barrinic acid
  • バリン酸
  • 2α,3β,19α-Trihydroxy-5α-olean-12-ene-23,28-dioic acid
  • 2α,3β,19α-Trihydroxyoleana-12-ene-23,28-dioic acid
CAS registry number： 38290-00-5
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