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β-Cubebene

CAT: 0931-TN7846-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7846-01Size:10 mg
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CAS Number
13744-15-5
Bioactivity
β-Cubebene, a sesquiterpene hydrocarbon, is extractable from cubeb oil.
Smiles
C[C@H]1[C@]23[C@@]([C@]2(C(=C)CC3)[H])([C@H]([C@@H](C)C)CC1)[H]
Molecular Formula
C15H24
Molecular Weight
204.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

beta-Cubebene

Beta-cubebene is a tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant. It has a role as a plant metabolite. It is a sesquiterpene and a carbotricyclic compound.

CAS Number13744-15-5
PubChem CID93081
IUPAC Name(1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
Molecular FormulaC15H24
Molecular Weight204.35
XLogP4.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity301
SMILES
C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C
InChI
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1
InChIKey
FSRZGYRCMPZNJF-KHMAMNHCSA-N
Chemical Structure
2D Structure
2D structure of beta-Cubebene
CAS: 13744-15-5
CID: 93081
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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