Eremophilene
Grundinformationen
- CAS
10219-75-7- Standard-SMILES
C=C(C)[C@@H]1CCC2=CCC[C@H](C)[C@@]2(C)C1- InChIKey
QEBNYNLSCGVZOH-GZBFAFLISA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
(-)-eremophilene is a member of the classs of octahydronaphthalenes and a sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted by an isopropenyl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aR,5S- diastereoisomer). It is a member of octahydronaphthalenes, a sesquiterpene and a polycyclic olefin. It is an enantiomer of a (+)-eremophilene.
Namen und Bezeichner
- Bevorzugter Name
- Eremophilene
- IUPAC
- (3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
- Englischer Name
- Eremophilene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
Eremophilene10219-75-7Eremophila-1(10),11-dieneOPI7MD81JTNaphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aR)-DTXSID30144729(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthaleneNaphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,7alpha,8aalpha))-RefChem:1084164DTXCID4067220(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthaleneEremophylene
Weitere Namen anzeigen
(1S)-1,2,3,5,6,7,8,8a-Octahydro-1,8aβ-dimethyl-7β-isopropenylnaphthalene(2R)-2α-Isopropenyl-8α,8aα-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene1,2,3,5,6,7,8,8a-Octahydro-1β,8aβ-dimethyl-7β-(1-methylethenyl)naphthalene
UNII-OPI7MD81JT(3R,4aR,5S)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene(-)-eremophileneSCHEMBL567341CHEBI:142091QEBNYNLSCGVZOH-GZBFAFLISA-NNAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,7.ALPHA.,8A.ALPHA.))-AKOS015903138
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 297
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Siedepunkt
- 129.5 °C · 129.5 °C(Press: 13 Torr)
- Dichte
- 0.9225 g/cm3 · 0.9225 g/cm3
- LogP
- 6.494 · 6.494 (est)
Chemie und Industrie
Anwendungen
VerwendenEremophilene is a component of Alpinia oxyphylla essential oil used widely in the In vitro cytotoxicity of human cancer cell lines, and also with great potentials for the food and pharmaceutical industry.
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