gamma-Elemene

Compound Structure:

Synonyms:

(+)-gamma-elemene; (1S,2S)-1-Ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)cyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-(propan-2-ylidene)-2-(prop-1-en-2-yl)cyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane

Compound ID:

NMPC-1066

PubChem ID:

6432312

Molecular Formula:

C15H24

Canonical SMILES:

CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C

InChIKey:

BQSLMQNYHVFRDT-LSDHHAIUSA-N

About the compound:

Gamma-elemene is a sesquiterpene that is cyclohexane substituted at positions 1, 1, 2, and 4 by methyl, vinyl, isopropenyl and isopropylidene groups, respectively (the S,S stereoisomer). It has a role as a plant metabolite and a volatile oil component. It is a sesquiterpene, a monocyclic hydrocarbon and an olefinic compound.

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	204.187800766 g/mol
Monoisotopic Mass	204.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

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