(E)-α-bergamotene

(E)-α-bergamotene
Compound Structure:
Synonyms: (E)-Bergamotene;exo-beta-bergamotene;(-)-beta-trans-Bergamotene;beta-Bergamotene, trans-;(+)-exo-beta-bergamotene;(1S,5S,6R)-6-Methyl-2-methylene-6-(4-methyl-3-penten-1-yl)bicyclo(3.1.1)heptane
Compound ID: NMPC-046
PubChem ID:

12300069
Molecular Formula: C15H24
Canonical SMILES: CC(=CCCC1(C2CCC(=C)C1C2)C)C
InChIKey: DGZBGCMPRYFWFF-SOUVJXGZSA-N
About the compound:

(+)-exo-beta-bergamotene is a sesquiterpene compound with a bridged structure. It belongs to the class of compounds known as sesquiterpenes. Trans-beta-Bergamotene, on the other hand, is a natural product found in Helichrysum odoratissimum. Sesquiterpenes like this are often associated with various scents and aromas, and they can have applications in the fragrance industry and potentially other fields.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

5.1

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

293

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: Acalypha segetalis
Tecoma stans
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