CHEBI:61344 - (S)-β-macrocarpene

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ChEBI Name (S)-β-macrocarpene
ChEBI ID CHEBI:61344
ChEBI ASCII Name (S)-beta-macrocarpene
Definition A sesquiterpene that is 1,1'-bi(cyclohexane)-1,3'-diene substituted at positions 4', 5, and 5 by methyl groups (the S- enantiomer).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H24
Net Charge 0
Average Mass 204.352
Monoisotopic Mass 204.18780
InChI InChI=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
InChIKey BKRLNEMLMVJATK-CYBMUJFWSA-N
SMILES C1(C)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H]
ChEBI Ontology
Outgoing (S)-β-macrocarpene (CHEBI:61344) is a cyclic hydrocarbon (CHEBI:33663)
(S)-β-macrocarpene (CHEBI:61344) is a sesquiterpene (CHEBI:35189)
Incoming (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
Synonyms Sources
(−)-β-macrocarpene ChEBI
(S)-β-macrocarpene UniProt
Manual Xref Database
CPD-12759 MetaCyc
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Registry Number Type Source
10666844 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18524777 PubMed citation Europe PMC
Last Modified
02 October 2018