Analyte Name

3'-O-(beta-Hydroxyethyl)diosmin

CAS Number

80604-68-8

Molecular Formula

C30 H36 O16

Molecular Weight

652.597

Accurate Mass

652.2

SMILES

COc1ccc(cc1OCCO)C2=CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5O)[C@@H](O)C(O)[C@@H]4O)cc3O2

InChI

InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-15(32)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)19(7-13)41-6-5-31/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21?,23+,24+,25+,26?,27+,28-,29+,30+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat