(+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl]methyl]benzaldehyde
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Grundinformationen
- CAS
52801-27-1- Standard-SMILES
COc1ccc(CC2c3cc4c(cc3CCN2C)OCO4)c(C=O)c1OC- InChIKey
ROAHDZJDHGLGBA-KRWDZBQOSA-N- Summenformel
- C21H23NO5
- Durchschnittliche Molmasse
- 369,41 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl]methyl]benzaldehyde
- Englischer Name
- (+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl]methyl]benzaldehyde
- Summenformel
- C21H23NO5
- Molmasse
- 369.41
Namen und Synonyme
CanadalineNsc279521(S)-(+)-Canadaline2,3-dimethoxy-6-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehydeBenzaldehyde, 2,3-dimethoxy-6-[[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]-(+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzaldehyde(+)-2,3-Dimethoxy-6-[[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinoline-5-yl]methyl]benzaldehyde
Datenbank-Bezeichner
- CAS
52801-27-1、62475-57-4- PubChem CID
- 321459
- ChEMBL
CHEMBL1968299
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 117 · 117-8°C
- Siedepunkt
- 514.8 · 514.800±50.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.246 · 1.246±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 7.711 · 7.711±0.40(predicted)
- Farbe
- Off-White to Pale Beige
Chemie und Industrie
Anwendungen
BeschreibungOne of a number of alkaloids obtained from Hydrastis canadensis, this base has recently been isolated and characterized. It crystallizes as colourless needles from Et20 and has a specific rotation of [α]D + 43° (c 0.5, CHC13). The ultraviolet spectrum in EtOH consists of a single absorption maximum at 288 nm. The structure of canadaline has been established from spectroscopic data.
Verwenden(S)-(+)-Canadaline is an alkaloid isolated from Goldenseal plant, Fumariaceae and various other plant species.
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