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Basic information
- CAS
3148-42-3- Standard SMILES
COC(=O)C1=CO[C@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12- InChIKey
FGWJRZQNNZVCHR-FERZIJSQSA-N- Molecular formula
- C23H28N2O5
- Average molar mass
- 412.48 g/mol
Names & identifiers
- Preferred name
- 10,11-Dimethoxy-19β-methyl-16,17-didehydro-18-oxayohimban-16-carboxylic acid methyl ester
- English name
- 10,11-Dimethoxy-19β-methyl-16,17-didehydro-18-oxayohimban-16-carboxylic acid methyl ester
- Molecular formula
- C23H28N2O5
- Molecular weight
- 412.48
Names & synonyms
RauvaninRauvanine10,11-Dimethoxy-19β-methyl-16,17-didehydro-18-oxayohimban-16-carboxylic acid methyl esterOxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (19β)-
Database identifiers
- CAS
3148-42-3- PubChem CID
- 201052
- Nikkaji
- J65.700J
Properties
Physicochemical properties
- Melting point
- 129 · 129-135°C (dec.).
- Boiling point
- 569.855 · 569.855±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.314 · 1.314±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.954 · 17.954±0.60(predicted)
Chemistry & industry
Applications
DescriptionThis yohimbine type alkaloid is a constituent of Rauwolfia vomitora and may be purified by recrystallization from MeOH when it forms colourless leaflets of the hemihydrate. It yields crystalline salts, e.g. the hydrochloride, m.p. 280-2°C and the tartrate, m.p. 215-6° C (dec.). The alkaloid is dextrorotatory with [α]D + 32.5° (c 1.0, CHC13). The structure is that of 10-methoxyraunitidine.
Suppliers1 total
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Related reactions
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Compound notes
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