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CHEBI:49206 - (1ξ,4ξ,5ξ)-guaia-6,9-diene

Default Structure
ChEBI IDCHEBI:49206
ChEBI Name(1ξ,4ξ,5ξ)-guaia-6,9-diene
Stars
ASCII Name(1xi,4xi,5xi)-guaia-6,9-diene
Last Modified6 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=CCC(C(C)C)=CC2C(C)CCC12
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3
InChIKeyRCMUGHFHXFHKNW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(1ξ,4ξ,5ξ)-guaia-6,9-diene (CHEBI:49206) is a sesquiterpene (CHEBI:35189)
Incoming Relation(s)
(+)-guaia-6,9-diene (CHEBI:49204) is a (1ξ,4ξ,5ξ)-guaia-6,9-diene (CHEBI:49206)
(−)-guaia-6,9-diene (CHEBI:49207) is a (1ξ,4ξ,5ξ)-guaia-6,9-diene (CHEBI:49206)
IUPAC Names 
1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazulene
(1ξ,4ξ,5ξ)-guaia-6,9-diene
Synonym  Source
7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazuleneIUPAC