Basic information
- CAS
17066-67-0- Standard SMILES
C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1- InChIKey
YOVSPTNQHMDJAG-ZNMIVQPWSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
(-)-beta-selinene is the (4aS,7S,8aR)-stereoisomer of beta-selinene. It is an enantiomer of a (+)-beta-selinene.
Names & identifiers
- Preferred name
- (-)-beta-Selinene
- IUPAC
- (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
- English name
- β-selinene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
(-)-beta-selinene(3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthaleneCHEBI:49274(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene (5beta,7alpha,10alpha)-eudesma-4(14),11-diene(5beta,7alpha,10alpha)-eudesma-4(14),11-diene(4aS,7S,8aR)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthaleneRefChem:67737473-12-1SCHEMBL29975200YOVSPTNQHMDJAG-ZNMIVQPWSA-NNaphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-
Show more names
beta-selineneβ-Eudesmeneeudesma-4(14),11-diene(+)-β-selinenebeta- eudesmeneselina-4(14),11-diene-Selineneβ-selineneβ-Selinene
LMPR01031900105bH,7b,10a-selina-4(14),11-dieneQ27121583
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 120 °C · 120 °C(Press: 10 Torr)
- Density
- 0.9136 g/cm3 · 0.9136 g/cm3(Temp: 420 °C)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Hexanes (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- 100 % · at 100.00%. herbal
- optical activity
- 7220 · +7220 (c 1, CHCl3)
- LogP
- 6.327 · 6.327 (est)
Chemistry & industry
Applications
Usesβ-Selinene is a natural product found in essential oils from variety of plants. It is a functional antioxidant with antiradical and antimicrobial properties.
Suppliers10 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [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]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: An optically active form of beta-selinene having (+)-(4aR,7R,8aS)-configuration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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