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Substance Name: 5-Cycloundecene-1-carboxylic acid, 1,5-dimethyl-9-methylene-2-((2-oxo-2H-1-benzopyran-7-yl)oxy)-
RN: 21800-49-7
InChIKey: WNKJSJGQYFLQJT-BNCCVWRVSA-N

Molecular Formula

  • C24-H28-O5

Molecular Weight

  • 396.48
 
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Names and Synonyms

Synonyms

  • (+-)-Karatavic acid
  • (1alpha,2beta,6beta)-1,3-Dimethyl-6-(1-methylethyenyl)-2-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-3-cyclohexene-1-propanoic acid
  • 1,3-Dimethyl-6-(1-methylethenyl)-2-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-3-cyclohexene-1-propanoic acid (1alpha,2beta,6beta)-
  • 5-18-01-00407 (Beilstein Handbook Reference)
  • BRN 4579293
  • Caratavinkovic acid

Systematic Names

  • 3-Cyclohexene-1-propanoic acid, 1,3-dimethyl-6-(1-methylethenyl)-2-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-, (1alpha,2beta,6beta)-
  • 5-Cycloundecene-1-carboxylic acid, 1,5-dimethyl-9-methylene-2-((2-oxo-2H-1-benzopyran-7-yl)oxy)-
  • Karatavic acid (7CI)

Registry Numbers

CAS Registry Number

  • 21800-49-7

System Generated Number

  • 0021800497

Structure Descriptors

InChI

1S/C24H28O5/c1-16-5-4-6-17(2)13-14-24(3,23(26)27)21(11-7-16)28-19-10-8-18-9-12-22(25)29-20(18)15-19/h5,8-10,12,15,21H,2,4,6-7,11,13-14H2,1,3H3,(H,26,27)/b16-5-

InChIKey

WNKJSJGQYFLQJT-BNCCVWRVSA-N

Smiles

O([C@@H]1[C@@](CCC(CCC=C(CC1)C)=C)(C(O)=O)C)c1cc2c(ccc(o2)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 204mg/kg (204mg/kg)   Rastitel'nye Resursy. Plant Resources. Vol. 12, Pg. 259, 1976.