Chem
J-GLOBAL ID：200907057842705071   Nikkaji number：J1.223.863K

3-epi-Micromeric acid

3-epi-ミクロメル酸
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： C30H46O3
Molecular formula furigana： C30-H46-O3
Molecular weight： 454.695
InChI： InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
InChI key： RSYAFUAKPCXDDM-QVOHORGGSA-N
SMILES： C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(=O)O
Systematic name  (3)：
  • 3α-ヒドロキシウルサ-12,20(30)-ジエン-28-酸
  • (1R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-ヒドロキシ-1,6a,6b,9,9,12a-ヘキサメチル-2-メチリデン-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-4a-カルボン酸
  • (1R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • 3α-Hydroxyurs-12,20(30)-diene-28-oic acid
  • 3-epi-Micromeric acid
  • 3-epi-ミクロメル酸
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