(9R,10S)-9,10-Dihydroxy-8,8-Dimethyl-9,10-Dihydropyrano(2,3-F)Chromen-2-One
Grundinformationen
- CAS
15575-68-5- Standard-SMILES
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1O- InChIKey
HKXQUNNSKMWIKJ-WCQYABFASA-N- Summenformel
- C14H14O5
- Durchschnittliche Molmasse
- 262,26 g/mol
- Monoisotopische Masse
- 262,08412354
Überblick
(-)-trans-Khellactone has been reported in Citrus japonica, Citrus tamurana, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- (9R,10S)-9,10-Dihydroxy-8,8-Dimethyl-9,10-Dihydropyrano(2,3-F)Chromen-2-One
- IUPAC
- (9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
- Englischer Name
- (9R)-8,8-Dimethyl-9α,10β-dihydroxy-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
- Summenformel
- C14H14O5
- Molmasse
- 262.26
Namen und Synonyme
(9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one(9R,10S)-9,10-Dihydroxy-8,8-Dimethyl-9,10-Dihydropyrano(2,3-F)Chromen-2-OneRefChem:1050759trans-Khellactone(-)-trans-khellactone23458-04-015575-68-5trans-(-)-KhellactoneCIJ6HK1AGB(+/-)-trans-KhellactoneKhellactone, trans-(-)-trans-(+/-)-Khellactone
Weitere Namen anzeigen
9,10-Dihydro-9α,10β-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one(9R)-8,8-Dimethyl-9α,10β-dihydroxy-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-[9R,10S,(-)]-9,10-Dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
17SSV9BI4TKhellactone, trans-(+/-)-(9R,10S)-9,10-Dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R,10S)-rel-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, (9R-trans)-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, trans-2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-, trans-(-)-
Datenbank-Bezeichner
- CAS
15575-68-5、23458-04-0- PubChem CID
- 9992853
- ChEMBL
CHEMBL72096- UNII
- 17SSV9BI4T、CIJ6HK1AGB
- Nikkaji
- J16.482H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 416
Physikochemische Eigenschaften
- Schmelzpunkt
- 184.5 · 184.5-186.0℃
- Siedepunkt
- 424.752 · 424.752±45.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.4 · 1.400±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.128 · 13.128±0.60(predicted)
Chemie und Industrie
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