346667

Bergenin monohydrate

98%

• Fórmula empírica (notación de Hill): C₁₄H₁₆O₉ · H₂O
• Número de CAS: 108032-11-7
• Peso molecular: 346.29
• MDL number: MFCD00167248
• UNSPSC Code: 12352103

Propiedades

• assay: 98%
• optical activity: [α]25/D −39°, c = 2.3 in methanol
• mp: 237-240 °C (lit.)
• SMILES string: O.COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](CO)OC3c2c1O
• InChI: 1S/C14H16O9.H2O/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12;/h2,6,8,10,12-13,15-19H,3H2,1H3;1H2/t6-,8-,10+,12+,13-;/m1./s1
• InChI key: QCWSXSAFDSGKAT-YOKSUNLASA-N