224022
(+)-Catechin hydrate
98%
Synonym(s):
(+)-Cyanidol-3, (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
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About This Item
Empirical Formula (Hill Notation):
C15H14O6 · xH2O
CAS Number:
Molecular Weight:
290.27 (anhydrous basis)
Beilstein:
3595244
EC Number:
MDL number:
UNSPSC Code:
12352103
Assay
98%
optical activity
[α]21/D +16.0°, c = 1 in H2O
mp
175-177 °C (anhydrous) (lit.)
SMILES string
[H]O[H].O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
InChI
1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChI key
OFUMQWOJBVNKLR-NQQJLSKUSA-N
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