CAS 132-37-6 | 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1) | CAS Number 132-37-6

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132-37-6 | 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1)

CAS No: 132-37-6 Catalog No: AG00101P MDL No:

Product Description

Catalog Number:

AG00101P

Chemical Name:

1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1)

CAS Number:

132-37-6

Molecular Formula:

C28H33ClO16

Molecular Weight:

661.0050

IUPAC Name:

(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

InChI:

InChI=1S/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-;/m1./s1

InChI Key:

NLSMPWTZYGSAEU-CYUNEVMDSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]

EC Number:

205-060-3