Thujopsene

Thujopsene
Compound Structure:
Synonyms: Thujopsene; (-)-Thujopsene ;470-40-6; (-)-Thujopsen ;WIDDRENE
Compound ID: NMPC-1534
PubChem ID:

442402
Molecular Formula: C15H24
Canonical SMILES: CC1=CCC2(CCCC(C23C1C3)(C)C)C
InChIKey: WXQGPFZDVCRBME-QEJZJMRPSA-N
About the compound:

Thujopsene is a natural chemical compound, classified as a sesquiterpene, with the molecular formula C15H24.,Thujopsene is found in the essential oil of a variety of conifers, in particular Juniperuscedrus and Thujopsisdolabrata in which it comprises around 2.2% of the weight of the heartwood.

GHS Hazard Statements

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

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.8

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

336

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

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: Taxodium distichum
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