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β-Gurjunene

β-Gurjunene structure

β-Gurjunene 

structure
  • CAS No:

    73464-47-8

  • Formula:

    C15H24

  • Chemical Name:

    β-Gurjunene

  • Synonyms:

    1H-Cycloprop[e]azulene,decahydro-1,1,4-trimethyl-7-methylene-,(1aR,4R,4aR,7aR,7bR)-;β-Gurjunene;1H-Cycloprop[e]azulene,decahydro-1,1,4-trimethyl-7-methylene-,[1aR-(1aα,4α,4aβ,7aβ,7bα)]-;(1aR,4R,4aR,7aR,7bR)-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop[e]azulene

Description

Beta-gurjunene is a carbotricyclic compound and sesquiterpene that is decahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, and 4, and by a methylidene group at position 7 (the (1aR,4R,4aR,7aR,7bR)- stereoisomer). It has been isolated from several plant species such as Acorus calamus and Pinus peuce. It has a role as a volatile oil component, a plant metabolite and a Penicillium metabolite. It is a sesquiterpene and a carbotricyclic compound.

β-Gurjunene Basic Attributes

204.35106

204.35

Characteristics

0

4.7

0.9329 g/cm3 @ Temp: 20 °C

113.5-114.0 °C

Drug Information

beta-gurjunene

Computed Properties

Molecular Weight:204.35
XLogP3:4.7
Exact Mass:204.187800766
Monoisotopic Mass:204.187800766
Heavy Atom Count:15
Complexity:299
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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