Chemical Property of O6-Demethylberbamine
Chemical Property:
- Boiling Point:706.5°Cat760mmHg
- Flash Point:381.1°C
- PSA：83.86000
- Density:1.239g/cm3
- LogP:6.43220
- XLogP3:5.7
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:2
- Exact Mass:594.27298694
- Heavy Atom Count:44
- Complexity:948
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
- Isomeric SMILES:CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
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Description
A bisbenzylisoquinoline alkaloid present in Berberis tachonoskyana, the base
may be recrystallized from C6H6 when it forms colourless needles containing
solvent, m.p. 135-6°C (dec.). It is dextrorotatory with [α] 9
D + 98.5° (MeOH).
Two methoxyl groups, two phenolic hydroxyl groups and two methylimino
groups are present in the molecule. The O,O-dimethyl ether is identical with iso_x0002_tetrandrine and the corresponding diethyl ether crystallizes as small granules
with m.p. 196-8°C; [α] 25
D+ 140°. The structure given has been determined
primarily from the mass spectrum.
