Analyte Name

Diosmin-d3

CAS Number

2515498-74-3

Molecular Formula

C28 D3 H29 O15

Molecular Weight

611.563

Accurate Mass

611.193

SMILES

O=C1C2=C(O)C=C(O[C@@H]3OC(CO[C@H]4[C@H](O)[C@H](O)[C@H](O)[C@H](C)O4)[C@@H](O)C(O)[C@@H]3O)C=C2OC(C5=CC=C(OC([2H])([2H])[2H])C(O)=C5)=C1

InChI

InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19?,21+,22+,23+,24?,25+,26-,27+,28+/m0/s1/i2D3

IUPAC

5-hydroxy-2-[3-hydroxy-4-(trideuteriomethoxy)phenyl]-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

Unlabelled CAS Number

520-27-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat

API Family

Diosmin