Chem
J-GLOBAL ID：200907038815751628   Nikkaji number：J14.220D

Medicagenic acid

メジカゲン酸
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： C30H46O6
Molecular formula furigana： C30-H46-O6
Molecular weight： 502.692
InChI： InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChI key： IDGXIXSKISLYAC-WNTKNEGGSA-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]2C1)C(=O)O
Systematic name  (3)：
  • (4S)-2β,3β-ジヒドロキシオレアナ-12-エン-23,28-二酸
  • (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-ジヒドロキシ-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
  • (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-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 (3)：
  • メジカゲン酸
  • Medicagenic acid
  • (4S)-2β,3β-Dihydroxyolean-12-ene-23,28-dioic acid
CAS registry number： 599-07-5
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