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CHEBI:61344 - (S)-β-macrocarpene

ChEBI IDCHEBI:61344
ChEBI Name(S)-β-macrocarpene
Stars
ASCII Name(S)-beta-macrocarpene
DefinitionA sesquiterpene that is 1,1'-bi(cyclohexane)-1,3'-diene substituted at positions 4', 5, and 5 by methyl groups (the S- enantiomer).
Last Modified2 October 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(C2=CCCC(C)(C)C2)CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1
InChIKeyBKRLNEMLMVJATK-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-β-macrocarpene (CHEBI:61344) is a cyclic hydrocarbon (CHEBI:33663)
(S)-β-macrocarpene (CHEBI:61344) is a sesquiterpene (CHEBI:35189)
Incoming Relation(s)
(S)-β-macrocarpen-15-ol (CHEBI:141850) has functional parent (S)-β-macrocarpene (CHEBI:61344)
IUPAC Name 
(1'S)-4',5,5-trimethyl-1,1'-bi(cyclohexane)-1,3'-diene
Synonym  Source
(−)-β-macrocarpeneChEBI
UniProt Name  Source
(S)-β-macrocarpeneUniProt
Manual XrefsDatabases
CPD-12759MetaCyc
Registry NumbersSources
Reaxys:10666844Reaxys
Citations