Analyte Name

7-Methoxy-4-(4-methoxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-2H-1-benzopyran-2-one

CAS Number

1112383-50-2

Molecular Formula

C28 H32 O14

Molecular Weight

592.545

Accurate Mass

592.179

SMILES

COc1ccc(cc1)C2=CC(=O)Oc3cc(OC)cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c23

InChI

InChI=1S/C28H32O14/c1-36-13-5-3-12(4-6-13)15-9-20(30)40-17-7-14(37-2)8-18(21(15)17)41-28-26(35)24(33)23(32)19(42-28)11-39-27-25(34)22(31)16(29)10-38-27/h3-9,16,19,22-29,31-35H,10-11H2,1-2H3/t16-,19-,22+,23-,24+,25-,26-,27+,28-/m1/s1

IUPAC

7-methoxy-4-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat