Trans-α-Bergamotene

Trans-α-Bergamotene
Compound Structure:
Synonyms: trans-alpha-Bergamotene; 13474-59-4; (-)-exo-alpha-bergamotene ;(+/-)-trans-alpha-Bergamotene ;alpha-Bergamotene, (E)-(-)-
Compound ID: NMPC-1560
PubChem ID:

6429302

Molecular Formula: C15H24
Canonical SMILES: CC1=CCC2CC1C2(C)CCC=C(C)C
InChIKey: YMBFCQPIMVLNIU-SOUVJXGZSA-N
About the compound:

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

3

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

304

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: Eichhornia crassipes
Monodora myristica
Solanum nigrum
Cymbopogon citratus
Boswellia dalzielii
Acalypha segetalis
Morinda lucida
Plumeria alba
Pyrenacantha staudtii
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