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Key Documents

346667

Sigma-Aldrich

Bergenin monohydrate

98%

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About This Item

Empirical Formula (Hill Notation):
C14H16O9 · H2O
CAS Number:
Molecular Weight:
346.29
MDL number:
UNSPSC Code:
12352103

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

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