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α-Bergamotene

α-Bergamotene structure

CAS No:
17699-05-7
Formula:
C15H24
Chemical Name:
α-Bergamotene
Synonyms:
Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-;α-Bergamotene;2-Norpinene,2,6-dimethyl-6-(4-methyl-3-pentenyl)-;Bicyclo[3.1.1]hept-2-ene,2,6-dimethyl-6-(4-methyl-3-pentenyl)-;2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-ene;2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Alpha-bergamotene is a sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. It has a role as a plant metabolite and a volatile oil component. It is a bridged compound, a sesquiterpene and a polycyclic olefin.

α-Bergamotene Basic Attributes

Molecular Weight：

204.35106

Exact Mass：

204.35

EC Number：

241-702-9

Characteristics

PSA：

XLogP3：

4.8

Density：

0.881±0.06 g/cm3(Predicted)

Boiling Point：

259.5±7.0 °C(Predicted)

Drug Information

MeSH Entry Terms：

alpha-bergamotene

Computed Properties

Molecular Weight:204.35
XLogP3:4.8
Rotatable Bond Count:3
Exact Mass:204.187800766
Monoisotopic Mass:204.187800766
Heavy Atom Count:15
Complexity:304
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes