CAS 149998-39-0 | 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- | CAS Number 149998-39-0

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149998-39-0 | 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-

CAS No: 149998-39-0 Catalog No: AG001M6Z MDL No:

Product Description

Catalog Number:

AG001M6Z

Chemical Name:

4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-

CAS Number:

149998-39-0

Molecular Formula:

C28H32O15

Molecular Weight:

608.5447

IUPAC Name:

6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

InChI:

InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)15-7-13(30)19-16(40-15)8-17(38-2)25(22(19)34)42-28-26(23(35)21(33)18(9-29)41-28)43-27-24(36)20(32)14(31)10-39-27/h3-8,14,18,20-21,23-24,26-29,31-36H,9-10H2,1-2H3/t14-,18-,20+,21-,23+,24-,26-,27+,28+/m1/s1

InChI Key:

FLNGHKQBVLFAGJ-IIYXSDHHSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2c(OC)cc3c(c2O)c(=O)cc(o3)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O