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CHEBI:36480 - bisabolane

ChEBI IDCHEBI:36480
ChEBI Namebisabolane
Stars
DefinitionA cycloalkane that is cyclohexane substituted by a methyl group at position 1 and by a 6-methylheptan-2-yl at position 4. Its skeleton structure is found in many sesquiterpenes and sesquiterpenoids.
Last Modified29 June 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H30
Net Charge0
Average Mass210.405
Monoisotopic Mass210.23475
SMILESCC(C)CCCC(C)C1CCC(C)CC1
InChIInChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
InChIKeyNOWQRWPUNHMSAF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bisabolane (CHEBI:36480) is a cycloalkane (CHEBI:23453)
bisabolane (CHEBI:36480) is a sesquiterpene (CHEBI:35189)
bisabolane (CHEBI:36480) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
(+)-epi-α-bisabolol (CHEBI:68658) has parent hydride bisabolane (CHEBI:36480)
(1S,6S,7R)-sesquipiperitol (CHEBI:173121) has parent hydride bisabolane (CHEBI:36480)
1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene (CHEBI:65845) has parent hydride bisabolane (CHEBI:36480)
1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene (CHEBI:65844) has parent hydride bisabolane (CHEBI:36480)
bisabolene (CHEBI:49235) has parent hydride bisabolane (CHEBI:36480)
IUPAC Name 
1-methyl-4-(6-methylheptan-2-yl)cyclohexane
Synonyms  Source
bisabolaneNIST Chemistry WebBook
1-(1,5-dimethylhexyl)-4-methylcyclohexaneNIST Chemistry WebBook
2-methyl-6-(4-methylcyclohexyl)-heptaneChEBI
2-methyl-6-(4-methylcyclohexyl)heptaneChEBI
Manual XrefsDatabases
LMPR0103060000LIPID MAPS
Registry NumbersSources
Beilstein:2037504Beilstein
CAS:29799-19-7NIST Chemistry WebBook