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Substance Name: Protocetraric acid
RN: 489-51-0
InChIKey: VOXMONAUSQZPTP-UHFFFAOYSA-N

Note

  • From lichens Parmelia caperata, P.

Molecular Formula

  • C18-H14-O9

Molecular Weight

  • 374.3
 
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Names and Synonyms

Results Name

  • Protocetraric acid

Synonyms

  • 4-Formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid
  • Protocetraric acid

Systematic Name

  • 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-

Registry Numbers

CAS Registry Number

  • 489-51-0

System Generated Number

  • 0000489510

Structure Descriptors

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

VOXMONAUSQZPTP-UHFFFAOYSA-N

Smiles

O1c2c(Oc3c(C1=O)c(cc(c3C=O)O)C)c(c(c(c2CO)O)C(=O)O)C