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CHEBI:60689 - cembrane

ChEBI IDCHEBI:60689
ChEBI Namecembrane
Stars
DefinitionA 14-membered macrocyclic diterpene carrying an isopropyl group at C-1 and three symmetrically disposed methyl groups at C-4, -8 and -12.
Last Modified4 November 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H40
Net Charge0
Average Mass280.540
Monoisotopic Mass280.31300
SMILESCC1CCCC(C)CCC(C(C)C)CCC(C)CCC1
InChIInChI=1S/C20H40/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h16-20H,6-15H2,1-5H3
InChIKeyLHORCXXUZJAMPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cembrane (CHEBI:60689) is a diterpene (CHEBI:35190)
Incoming Relation(s)
(R)-cembrene A (CHEBI:82800) has parent hydride cembrane (CHEBI:60689)
cembrane diterpenoid (CHEBI:60687) has parent hydride cembrane (CHEBI:60689)
cembrene C (CHEBI:82798) has parent hydride cembrane (CHEBI:60689)
IUPAC Name 
1,7,11-trimethyl-4-(propan-2-yl)cyclotetradecane
Registry NumbersSources
CAS:1786-12-5ChemIDplus