Fisetinidol-(4alpha-8)-catechin
Grundinformationen
- CAS
57526-59-7- Standard-SMILES
Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2- InChIKey
CVPALQKJIJFGCD-WXMJOIKDSA-N- Summenformel
- C30H26O11
- Durchschnittliche Molmasse
- 562,5 g/mol
- Monoisotopische Masse
- 562,14751164
Überblick
Fisetinidol-(4alpha,8)-catechin is a ring assembly that consists of fisetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii. It has a role as a metabolite. It is a catechin and a ring assembly. It is functionally related to a (+)-catechin and a fisetinidol.
Namen und Bezeichner
- Bevorzugter Name
- Fisetinidol-(4alpha-8)-catechin
- IUPAC
- (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
- Englischer Name
- FISETINIDOL-(4B8)-CATECHIN
- Summenformel
- C30H26O11
- Molmasse
- 562.52
Namen und Synonyme
57526-59-7Fisetinidol-(4alpha-8)-catechinDTXSID101310241RefChem:937948DTXCID301740096fisetinidol-(4alpha,8)-catechin(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triolProcyanidin Impurity 4CHEMBL5085645CHEBI:68334Fisetinidol-(4I+/--8)-catechinQ27136831
Weitere Namen anzeigen
FISETINIDOL-(4B8)-CATECHIN[4,8'-Bi-2H-1-benzopyran]-3,3',5',7,7'-pentol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'S,4S)-
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-[4,8'-bichromane]-3,3',5',7,7'-pentaol(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5',7,7'-pentol(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 201 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 892
Physikochemische Eigenschaften
- Siedepunkt
- 913.46 · 913.460±65.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.651 · 1.651±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.34 · 9.340±0.60(predicted)
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: A ring assembly that consists of fisetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.
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