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CHEBI:142524 - β-hibitakanine

ChEBI IDCHEBI:142524
ChEBI Nameβ-hibitakanine
Stars
ASCII Namebeta-hibitakanine
DefinitionA benzoate ester resulting from the formal condensation of the carboxy group of 3,5-dimethoxybenzoic acid with the hydroxy group of (−)-borneol.
Last Modified16 November 2018
SubmitterAdnan
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILES[H][C@]12CC[C@](C)([C@H](OC(=O)c3cc(OC)cc(OC)c3)C1)C2(C)C
InChIInChI=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
InChIKeyGXJRQCMXVCLYPV-URKNILKWSA-N
ChEBI Ontology
Outgoing Relation(s)
β-hibitakanine (CHEBI:142524) has functional parent (−)-borneol (CHEBI:15394)
β-hibitakanine (CHEBI:142524) has functional parent 3,5-dimethoxybenzoic acid (CHEBI:142601)
β-hibitakanine (CHEBI:142524) is a benzoate ester (CHEBI:36054)
β-hibitakanine (CHEBI:142524) is a carbobicyclic compound (CHEBI:36785)
β-hibitakanine (CHEBI:142524) is a dimethoxybenzene (CHEBI:51681)
β-hibitakanine (CHEBI:142524) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
Citations