Basic information
- CAS
6813-21-4- Standard SMILES
CC1=CCCC2(C)CCC(=C(C)C)CC12- InChIKey
WNRBYZQFEBIUGD-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
3,7(11)-Eudesmadiene is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 3,7(11)-Eudesmadiene
- IUPAC
- 5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
- English name
- (4aR)-3,4,4a,5,6,7,8,8aα-Octahydro-1,4aβ-dimethyl-7-(1-methylethylidene)naphthalene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
3,7(11)-Eudesmadiene5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene4a,8-dimethyl-2-(propan-2-ylidene)-1,2,3,4,4a,5,6,8a-octahydronaphthaleneRefChem:10661033,7(11)-Selinadieneseli-3,7(11)-diene2-Isopropylidene-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthaleneSelina-3,7(11)-dienseli-3,7 (11)-dieneSCHEMBL29475611CHEBI:166668DTXSID101042898
Show more names
Selina-3,7(11)-dieneEudesma-3,7(11)-diene(4aR.8aR)-3-isopropylidene-5,8a-dimethyl-1.2.4.4a.7.8-hexahydronaphthalene(4aR)-3,4,4a,5,6,7,8,8aα-Octahydro-1,4aβ-dimethyl-7-(1-methylethylidene)naphthalene(4aR)-1,2,3,4,4a,5,6,8aβ-Octahydro-4aα,8-dimethyl-2-(1-methylethylidene)naphthaleneNaphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-, (4aR,8aR)-
4a,8-Dimethyl-2-(1-methylethylidene)-1,2,3,4,4a,5,6,8a-octahydronaphthalene-, (4aR-trans)-GAA81321naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
Boiling Point269.00 to 270.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 269.6 · 269.6±10.0 °C(Predicted)
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, Light sensitive
- solubility
- Chloroform (Slightly), Hexane (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Light Sensitive, Volatile
- LogP
- 6.734 · 6.734 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesSelina-3,7(11)-diene is an essential oil component, shown to have antioxidant and antimicrobial properties.
Suppliers2 total
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Related reactions
2 records
Compound notes
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