Chem
J-GLOBAL ID：200907009875448320   Nikkaji number：J732.186D

Elenolic acid

エレノール酸
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： C11H14O6
Molecular formula furigana： C11-H14-O6
Molecular weight： 242.227
InChI： InChI=1S/C11H14O6/c1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2/h4-8H,3H2,1-2H3,(H,13,14)/t6-,7-,8+/m0/s1
InChI key： MQFAJBBHEYTHKF-BIIVOSGPSA-N
SMILES： COC(=O)C1=CO[C@@H](C)[C@@H](C=O)[C@@H]1CC(=O)O
Systematic name  (3)：
  • (2S)-3β-ホルミル-3,4-ジヒドロ-5-(メトキシカルボニル)-2β-メチル-2H-ピラン-4α-酢酸
  • 2-[(2S,3S,4S)-3-ホルミル-5-(メトキシカルボニル)-2-メチル-3,4-ジヒドロ-2H-ピラン-4-イル]酢酸
  • 2-[(2S,3S,4S)-3-formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
Other name (3)：
  • エレノール酸
  • Elenolic acid
  • (2S)-3β-Formyl-3,4-dihydro-5-(methoxycarbonyl)-2β-methyl-2H-pyran-4α-acetic acid
CAS registry number： 34422-12-3
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