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Basic information
- CAS
151140-40-8- Standard SMILES
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21- InChIKey
LILOLDYAQAFVGN-DFOQSZTGSA-N- Molecular formula
- C22H32O14
- Average molar mass
- 520.484 g/mol
- Monoisotopic mass
- 520.1792057
Names & identifiers
- Preferred name
- 5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-hexopyranosylhexopyranoside
- IUPAC
- (4aS,5R,6S)-5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
- English name
- swertiapunimarin
- Molecular formula
- C22H32O14
- Molecular weight
- 520.48
Names & synonyms
swertiapunimarin1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4,4a,5,6-tetrahydro-, (4aS,5R,6S)-
Database identifiers
- CAS
151140-40-8- PubChem CID
- 192515
- DTXSID
DTXSID20934176- Nikkaji
- J1.989.403G
Properties
Physicochemical properties
- Boiling point
- 827.857 · 827.857±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.6 · 1.600±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.764 · 12.764±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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