(-)-beta-Chamigrene

(-)-beta-Chamigrene
Compound Structure:
Synonyms: (-)-beta-Chamigrene;(-)-chamigrene;(R)-beta-chamigrene;Chamigrene;Chamigren;(6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene;(6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene;(R)-11-Methylene-3,7,7-trimethylspiro[5.5]undec-2-ene
Compound ID: NMPC-617
PubChem ID:

442353
Molecular Formula: C15H24
Canonical SMILES: CC1=CCC2(CC1)C(=C)CCCC2(C)C
InChIKey: WLNGPDPILFYWKF-OAHLLOKOSA-N
About the compound:

(-)-beta-chamigrene is the (6R)-enantiomer of beta-chamigrene. It is an enantiomer of a (+)-beta-chamigrene. (−)-β-Chamigrene is the parent compound of subclass of sesquiterpenes found in various marine and terrestrial plants. The stereoisomer (−)-β-chamigrene is the most common in nature.[citation needed] Chamigrenes (chamigrene-related compounds) are characterized by a spiro[5.5]undecane core with an all-carbon quaternary stereocenter at the junction of the spirocycle.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.7

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

306

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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: Plumeria alba
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