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(-) -Beta-Sesquiphellandrene

CAT: 1596-AR-T04546-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
20307-83-9
Molecular Formula
C15H24
Molecular Weight
204.36
API Name
Terpene

Chemical Information

beta-Sesquiphellandrene

Beta-sesquiphellandrene is a sesquiterpene that is cyclohexene in which the hydrogens at position 6 are replaced by a methylidene group and in which the pro-R hydrogen at position 3 is replaced by a (2S)-6-methylhept-5-en-2-yl group. It has a role as a plant metabolite. It is an alicyclic compound and a sesquiterpene.

CAS Number20307-83-9
PubChem CID12315492
IUPAC Name(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP5.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity264
SMILES
C[C@@H](CCC=C(C)C)[C@H]1CCC(=C)C=C1
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1
InChIKey
PHWISBHSBNDZDX-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of beta-Sesquiphellandrene
CAS: 20307-83-9
CID: 12315492
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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