(-)-alpha-Gurjunene

(-)-alpha-Gurjunene
Compound Structure:
Synonyms: (-)-alpha-Gurjunene;489-40-7;1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.alpha.,4a.beta.,7b.alpha.)]-;4-Aromadendrene;1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene
Compound ID: NMPC-562
PubChem ID:

521243

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

Gurjunene, also known as (-)-α-gurjunene, is a natural carbotricyclic sesquiterpene that is most commonly found in gurjun balsam, an essential oil compound extracted from plants of the genus Dipterocarpus.[1][2] The following reaction that synthesizes gurjunene can be catalyzed by alpha-gurjunene synthase:[3]

GHS Hazard Statements

H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]


Properties:

Chemical and Physical Properties

Computed 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

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

Source Species: Monodora tenuifolia
Eugenia uniflora
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