Protocetraric acid

CAS Registry Number®

489-51-0
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CAS Name

Protocetraric acid

Molecular Formula

C18H14O9

Molecular Mass

374.30

Cite this Page

Protocetraric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=489-51-0 (retrieved 2024-09-03) (CAS RN: 489-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)

InChIKey

InChIKey=VOXMONAUSQZPTP-UHFFFAOYSA-N

SMILES

CC1=C2C(=C(CO)C(O)=C1C(O)=O)OC(=O)C=3C(O2)=C(C=O)C(O)=CC3C

Canonical SMILES

O=CC1=C(O)C=C(C=2C(=O)OC3=C(OC12)C(=C(C(=O)O)C(O)=C3CO)C)C

Other Names for this Substance

  • 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-
  • Protocetraric acid
  • Isophthalaldehydic acid, 2-[(3-carboxy-α5,4,6-trihydroxy-2,5-xylyl)oxy]-4-hydroxy-6-methyl-, ε-lactone
  • 4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid