elemol (CHEBI:141221)

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ChEBI Name	elemol

ChEBI ID	CHEBI:141221

Definition	A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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Formula

C15H26O

Net Charge

Average Mass

222.367

Monoisotopic Mass

222.19837

InChI

InChI=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

InChIKey

GFJIQNADMLPFOW-VNHYZAJKSA-N

SMILES

C1[C@H](C[C@H]([C@@](C1)(C=C)C)C(C)=C)C(O)(C)C

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	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	Sources
(1R,3S,4S)-4-ethenyl-α,α,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanol	ChemIDplus
(1S,2S,4R)-(−)-α,α-dimethyl-1-vinyl-o-menth-8-ene-4-methanol	NIST Chemistry WebBook
1R,1α,3α,4β-4-ethenyl-α,α,4-trimethyl-3-(1-methylethenyl)cyclohexanemethanol	NIST Chemistry WebBook

Last Modified

10 July 2018