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CHEBI:141221 - elemol

ChEBI IDCHEBI:141221
ChEBI Nameelemol
Stars
DefinitionA sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group.
Last Modified10 July 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESC=C[C@]1(C)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C
InChIInChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
InChIKeyGFJIQNADMLPFOW-VNHYZAJKSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
elemol (CHEBI:141221) has role fragrance (CHEBI:48318)
elemol (CHEBI:141221) has role plant metabolite (CHEBI:76924)
elemol (CHEBI:141221) is a olefinic compound (CHEBI:78840)
elemol (CHEBI:141221) is a sesquiterpenoid (CHEBI:26658)
elemol (CHEBI:141221) is a tertiary alcohol (CHEBI:26878)
IUPAC Names 
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-ol
2-[(1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl]propan-2-ol
Synonyms  Source
(1R,3S,4S)-4-ethenyl-α,α,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanolChemIDplus
1R,1α,3α,4β-4-ethenyl-α,α,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanolNIST Chemistry WebBook
(1S,2S,4R)-(−)-α,α-dimethyl-1-vinyl-o-menth-8-ene-4-methanolNIST Chemistry WebBook
Manual XrefsDatabases
FDB006367FooDB
C00012005KNApSAcK
Registry NumbersSources
Reaxys:2210343Reaxys
CAS:639-99-6ChemIDplus
CAS:639-99-6NIST Chemistry WebBook
Citations