CHEBI:60689 - cembrane

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ChEBI Name cembrane
ChEBI ID CHEBI:60689
Definition A 14-membered macrocyclic diterpene carrying an isopropyl group at C-1 and three symmetrically disposed methyl groups at C-4, -8 and -12.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H40
Net Charge 0
Average Mass 280.53160
Monoisotopic Mass 280.31300
InChI InChI=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
InChIKey LHORCXXUZJAMPU-UHFFFAOYSA-N
SMILES CC1CCCC(C)CCC(CCC(C)CCC1)C(C)C
ChEBI Ontology
Outgoing cembrane (CHEBI:60689) is a diterpene (CHEBI:35190)
Incoming (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 Number Type Source
1786-12-5 CAS Registry Number ChemIDplus
Last Modified
04 November 2014