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beta-hibitakanine

Go to external page http://purl.obolibrary.org/obo/CHEBI_142524

A benzoate ester resulting from the formal condensation of the carboxy group of 3,5-dimethoxybenzoic acid with the hydroxy group of (-)-borneol.

Term info

Label

beta-hibitakanine

Synonyms
  • (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate [ IUPAC ]

charge

0

formula

C19H26O4

has obo namespace

chebi_ontology

id

CHEBI:142524

inchi

InChI=1S/C19H26O4/c1-18(2)13-6-7-19(18,3)16(10-13)23-17(20)12-8-14(21-4)11-15(9-12)22-5/h8-9,11,13,16H,6-7,10H2,1-5H3/t13-,16+,19+/m0/s1

inchikey

GXJRQCMXVCLYPV-URKNILKWSA-N

mass

318.408

monoisotopicmass

318.18311

smiles

C(C1=CC(=CC(=C1)OC)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H]