6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
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Grundinformationen
- CAS
2552-47-8- Standard-SMILES
COc1cc2c(cc1Oc1c(Oc3c(O)c(OC)cc4c3C(CC(C)C)N(C)CC4)c(OC)cc3c1C(CC(C)C)N(C)CC3)C(CC(C)C)N(C)CC2- InChIKey
AFQDIEHIPKSXRL-UHFFFAOYSA-N- Summenformel
- C45H65N3O6
- Durchschnittliche Molmasse
- 744,03 g/mol
- Monoisotopische Masse
- 743,4873368
Namen und Bezeichner
- Bevorzugter Name
- 6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
- IUPAC
- 6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
- Englischer Name
- 6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4- dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihyd ro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H -isoquinolin-7-ol
- Summenformel
- C45H65N3O6
- Molmasse
- 744.01
Namen und Synonyme
Pilocereine1-isobutyl-8-[[1-isobutyl-8-[(1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4- dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihyd ro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H -isoquinolin-7-ol7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-
Datenbank-Bezeichner
- CAS
2552-47-8- PubChem CID
- 228285
- DTXSID
DTXSID90948422- ChEMBL
CHEMBL2006650- ChEBI
CHEBI:8208- UNII
- PV5UF6M752
- Nikkaji
- J7.612K
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 176.5 · 176.5-177°
- Siedepunkt
- 699.1 · 699.1±55.0 °C(Predicted)
- Dichte
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 9.22 · 9.22±0.40(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungA constituent of the cactus Lophocereus Schottii, this alkaloid yields colourless crystals from AcOEt. The structure is that of a trimeric isoquinoline. A dihydro_x0002_chloride is obtained as the dihydrate, m.p. 228- 232°C (dec.); the diperchlorate has m.p. 214-7°C; the oxalate forms a crystalline dihydrate, m.p. 158-163°C (dec.) on rapid heating and m.p. 198- 200°C (dec.) on slow heating. The O-acetate has m.p. 186°C and the methyl ether exists in two forms as crystals from AcOEt, m.p. 133-5°C and crystals from hexane which melt at 92-105°C and again at I 53-5°C after intermediate solidification. The structure has been determined by chemical degradation and spectroscopic analysis.
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