CAS 529-59-9 Genistin - Analytical Products / Alfa Chemistry

CAT	APS529599
CAS	529-59-9
Structure
MDL Number	MFCD00016883
Synonyms	Genistoside, Genistein 7-O-β-D-glucopyranoside, Genistein, 7-β-D-glucopyranoside, NSC 5112, 5,4'-Di-hydroxyisoflavone-7-O-β-D-glucopyranoside, Genistine, Genistein 7-O-β-D-glucoside, Genistein 7-O-β-glucoside, Genisteol 7-monoglucoside, 7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4',5,7-Trihydroxyisoflavone 7-β-D-glucopyranoside, Genistein 7-O-glucoside, Genistin (6CI,7CI,8CI),7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
IUPAC Name	5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	432.38
Molecular Formula	C21H20O10
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChI Key	ZCOLJUOHXJRHDI-CMWLGVBASA-N
REAXYS Number	64479

Accurate Mass	432.1056
Format	Neat