Yenhusomidine
Grundinformationen
- CAS
56435-44-0- Standard-SMILES
COc1cc2c(cc1OC)[C@]1(C(=O)c3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2- InChIKey
CSJAPFGQQAVKGU-LEWJYISDSA-N- Summenformel
- C21H21NO6
- Durchschnittliche Molmasse
- 383,4 g/mol
Überblick
Yenhusomidine has been reported in Corydalis cornuta with data available.
Namen und Bezeichner
- Bevorzugter Name
- Yenhusomidine
- IUPAC
- (1S,8'S)-8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
- Englischer Name
- (-)-YENHUSOMIDINE
- Summenformel
- C21H21NO6
- Molmasse
- 383.39
Namen und Synonyme
yenhusomidine56435-44-0(1S,8'S)-8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one(1S,8'S)-8'-hydroxy-6,7-dimethoxy-2-methylspiro(3,4-dihydroisoquinoline-1,7'-8H-cyclopenta(g)(1,3)benzodioxole)-6'-oneRefChem:195628(-)-YENHUSOMIDINE(7S,8S)-3',4'-Dihydro-8-hydroxy-6',7'-dimethoxy-2'-methylspiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-6(8H)-oneSpiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-6(8H)-one, 3',4'-dihydro-8-hydroxy-6',7'-dimethoxy-2'-methyl-, (1'S,8S)-
Datenbank-Bezeichner
- CAS
56435-44-0- ChEMBL
CHEMBL520375- Nikkaji
- J14.152F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 77,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 630
Physikochemische Eigenschaften
- Siedepunkt
- 546.6 · 546.6±50.0 °C(Predicted)
- Dichte
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 12.96 · 12.96±0.20(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungOne of two structurally related alkaloids of the spiroisoquinoline type recently isolated from Corydalis ochotensis, the structure of yenhusomidine has recently been established by chemical and spectroscopic methods, particularly from the NMR spectrum. It was later confirmed by synthesis.
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