Atranorin

CAS Registry Number®

479-20-9

CAS Name

Atranorin

Molecular Formula

C19H18O8

Molecular Mass

374.34

Cite this Page

Atranorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=479-20-9 (retrieved 2024-11-24) (CAS RN: 479-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey

InChIKey=YLOYKYXNDHOHHT-UHFFFAOYSA-N

SMILES

C(OC1=C(C)C(O)=C(C(OC)=O)C(C)=C1)(=O)C2=C(O)C(C=O)=C(O)C=C2C

Canonical SMILES

O=CC1=C(O)C=C(C(C(=O)OC=2C=C(C(C(=O)OC)=C(O)C2C)C)=C1O)C

Other Names for this Substance

  • Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
  • Atranoric acid
  • Isophthalaldehydic acid, 2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-β-resorcylate
  • Atranorin
  • Atranorine

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