Basic information
- CAS
13744-15-5- Standard SMILES
C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C- InChIKey
FSRZGYRCMPZNJF-KHMAMNHCSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
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.
Names & identifiers
- Preferred name
- beta-Cubebene
- IUPAC
- (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
- English name
- cubebene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
beta-Cubebene13744-15-5b-Cubebene(-)-b-Cubebene(1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane(3as,3br,4s,7r,7ar)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1h-cyclopenta[1,3]cyclopropa[1,2]benzene.beta.-CubebeneCHEBI:10363DTXSID201017555(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-(3aS-(3aalpha,3bbata,4b,7a,7aA*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1hcyclopenta(1,3)cyclopropa(1,2)benzene
Show more names
β-cubebene(3aS,3bα,7aR)-Octahydro-7β-methyl-3-methylene-4α-isopropyl-1H-cyclopenta[1,3]cyclopropa[1,2]benzene1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-cubebene(-)-beta-Cubebeneβ-Cubebene Discontinued
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 266.9 · 266.9±7.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. citrus fruity radish
- Odor Type
- citrus
- LogP
- 6.181 · 6.181 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Suppliers6 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant.
Related reactions
1 records
Compound notes
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