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CHEBI:145563 - exo-(+)-cinmethylin

ChEBI IDCHEBI:145563
ChEBI Nameexo-(+)-cinmethylin
Stars
ASCII Nameexo-(+)-cinmethylin
DefinitionA 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin.
Last Modified3 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC18H26O2
Net Charge0
Average Mass274.404
Monoisotopic Mass274.19328
SMILESCc1ccccc1CO[C@@H]1C[C@@]2(C(C)C)CC[C@]1(C)O2
InChIInChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1
InChIKeyQMTNOLKHSWIQBE-FGTMMUONSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
exo-(+)-cinmethylin (CHEBI:145563) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562)
exo-(+)-cinmethylin (CHEBI:145563) is enantiomer of exo-(−)-cinmethylin (CHEBI:145564)
Incoming Relation(s)
cinmethylin (CHEBI:3708) has part exo-(+)-cinmethylin (CHEBI:145563)
exo-(−)-cinmethylin (CHEBI:145564) is enantiomer of exo-(+)-cinmethylin (CHEBI:145563)
IUPAC Name 
(1S,2R,4R)-1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Synonyms  Source
(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptaneIUPAC
(+)-2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptaneChEBI
cinmethylin exo-(+)-isomerChEBI
Manual XrefsDatabases
EP3162209Patent
EP0081893Patent
US4487945Patent
Registry NumbersSources
CAS:87818-61-9ChEBI