Curzerene

Compound Structure:

Synonyms:

(5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran; Curzerene; Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-; (5R,6R)-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-4,5,6,7-tetrahydrobenzofuran

Compound ID:

NMPC-906

PubChem ID:

12305301

Molecular Formula:

C15H20O

Canonical SMILES:

CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C

InChIKey:

HICAMHOOTMOHPA-HIFRSBDPSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	216.32 g/mol
XLogP3-AA	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	216.151415257 g/mol
Monoisotopic Mass	216.151415257 g/mol
Topological Polar Surface Area	13.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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:

Eugenia uniflora

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