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(+) -Cuparene

CAT: 0013-GTR19164957-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164957-02Size:5 mg
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Description
(+) -Cuparene is a natural sesquiterpene hydrocarbon used as a research standard in phytochemistry and natural product studies. It serves as a key reference compound for the analysis of plant essential oils and for investigating the biosynthesis of terpenoid metabolites in vitro.
CAS Number
16982-00-6
Purity
99.97% (May vary between batches)
Smiles
C[C@@]1 (C (C) (C) CCC1) C2=CC=C (C) C=C2
Molecular Formula
C15H22
Molecular Weight
202.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cuparene

Cuparene is a sesquiterpenoid.

CAS Number16982-00-6
PubChem CID86895
IUPAC Name1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
Molecular FormulaC15H22
Molecular Weight202.33
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
CC1=CC=C(C=C1)[C@@]2(CCCC2(C)C)C
InChI
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKey
SLKPBCXNFNIJSV-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Cuparene
CAS: 16982-00-6
CID: 86895
Formula: C15H22
MW: 202.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.33
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass202.172150702
Monoisotopic Mass202.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN6762-01(+) -Cuparene
M23763-01Cuparene
MBS5765738(+)-Cuparene

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