Chem
J-GLOBAL ID：200907056400019024   Nikkaji number：J12.600D

Atranorin

アトラノリン
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： C19H18O8
Molecular formula furigana： C19-H18-O8
Molecular weight： 374.345
InChI： InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
InChI key： YLOYKYXNDHOHHT-UHFFFAOYSA-N
SMILES： COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Systematic name  (3)：
  • 3-ホルミル-2,4-ジヒドロキシ-6-メチル安息香酸3-ヒドロキシ-4-(メトキシカルボニル)-2,5-ジメチルフェニル
  • メチル 4-(3-ホルミル-2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-2-ヒドロキシ-3,6-ジメチルベンゾアート
  • methyl 4-(3-formyl-2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate
Other name (4)：
  • アトラノリン
  • Atranorin
  • 3-Formyl-2,4-dihydroxy-6-methylbenzoic acid 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
  • NSC-685591
CAS registry number： 479-20-9
Regulation number (1)：
  • EINECS2075277
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