α-Gurjunene

α-Gurjunene
Compound Structure:
Synonyms: alpha-Gurjunene; (-)-alpha-Gurjunene; 489-40-7 ;(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene; Gurjunene-alpha
Compound ID: NMPC-1630
PubChem ID:

15560276

Molecular Formula: C15H24
Canonical SMILES: CC1CCC2C(C2(C)C)C3=C(CCC13)C
InChIKey: SPCXZDDGSGTVAW-XIDUGBJDSA-N
About the compound:

(-)-alpha-gurjunene is a carbotricyclic compound and sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, 4 and 7 (the 1aR,4R,4aR,7bS- diastereoisomer). It has been isolated from several plant species such as Anaphalisnubigena and Jatropharibifolia. It has a role as a volatile oil component, a plant metabolite and an antibacterial agent. It is a carbotricyclic compound and a sesquiterpene. It is an enantiomer of a (+)-alpha-gurjunene.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

321

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

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: Klainedoxa gabonensis
Brachystegia nigerica
Brachystegia eurycoma
Eucalyptus tereticornis
Eucalyptus torelliana
Centratherum punctatum
Morinda lucida
Polyalthia suaveolens
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