3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
Grundinformationen
- CAS
106623-23-8- Standard-SMILES
CC(C)C1=C[C@H]2[C@@H]3[C@@H](C(C(C)C)=CC(=O)[C@]3(C)O)[C@@H]1C(=O)[C@]2(C)O- InChIKey
YNYHPBIGKWCFOA-GNNUITGDSA-N- Summenformel
- C20H28O4
- Durchschnittliche Molmasse
- 332,4 g/mol
- Monoisotopische Masse
- 332,19875937
Überblick
(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.0²,⁷]dodeca-5,11-diene-4,9-dione has been reported in Chamaecyparis obtusa var. formosana and Chamaecyparis obtusa with data available.
Namen und Bezeichner
- Bevorzugter Name
- 3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione
- IUPAC
- (1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-di(propan-2-yl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
- Englischer Name
- 3,10-Dihydroxy-5,11-dielMenthadiene-4,9-dione
- Summenformel
- C20H28O4
- Molmasse
- 332.43
Namen und Synonyme
3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione106623-23-8(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-di(propan-2-yl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione3,10-Dihydroxydielmentha-5,11-diene-4,9-dioneorb1683684TN2852AKOS032962236FS-10110(1s,2s,3r,7r,8s,10r)-3,10-dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione1,4-Ethanonaphthalene-6,10(4H)-dione,4,4a,5,8a-tetrahydro-5,9-dihydroxy-5,9-dimethyl-2,8-bis(1-methylethyl)-, [1S-[1,4,4a,5,8a,9S*]]-9-dione11-diene-4
Weitere Namen anzeigen
10-Dihydroxydielmentha-53,10-DIHYDROXYDIELMENTHA-5,11-DI(1S,4S,4aS,5R,8aR,9R)-4,4a,5,8a-Tetrahydro-5,9-dihydroxy-5,9-dimethyl-2,8-bis(1-methylethyl)-1,4-ethanonaphthalene-6,10(4H)-dione1,4-Ethanonaphthalene-6,10(4H)-dione, 4,4a,5,8a-tetrahydro-5,9-dihydroxy-5,9-dimethyl-2,8-bis(1-methylethyl)-, (1S,4S,4aS,5R,8aR,9R)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 671
Physikochemische Eigenschaften
- Siedepunkt
- 499.9 · 499.9±45.0 °C(Predicted)
- Dichte
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.70(Predicted)
Chemie und Industrie
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