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Basic information
- CAS
108032-11-7- Standard SMILES
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O.O- InChIKey
QCWSXSAFDSGKAT-YOKSUNLASA-N- Molecular formula
- C14H18O10
- Average molar mass
- 346.288 g/mol
- Monoisotopic mass
- 346.08999678
Names & identifiers
- Preferred name
- Bergenin monohydrate
- IUPAC
- (2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c][2]benzopyran-6(2H)-one--water (1/1)
- English name
- BERGENIN MONOHYDRATE, 98
- Molecular formula
- C14H16O9.H2O
- Molecular weight
- 346.286
Names & synonyms
Bergenin monohydrateBERGENIN MONOHYDRATE, 98(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-2,3,4,4a-tetrahydropyrano[3,2-c]isochromen-6(10bH)-one hydrate
Database identifiers
- CAS
108032-11-7、5956-63-8- PubChem CID
- 201412
- DTXSID
DTXSID9045550- ChEMBL
CHEMBL3181911- UNII
- WG6VBX5A22
Properties
Physicochemical properties
- Melting point
- 237 · 237-240 °C(lit.)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Suppliers1 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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