Analyte Name

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-O-[1-C-[4-chloro-3-[(4-ethoxyphenyll)methyl]phenyl]-D-glucopyranosyl]-D-glucitol

CAS Number

2714814-62-5

Molecular Formula

C42 H48 Cl2 O12

Molecular Weight

815.729

Accurate Mass

814.252

SMILES

CCOc1ccc(cc1)C(c2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4cc(Cc5cc(ccc5Cl)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)ccc4OCC

InChI

InChI=1S/C42H48Cl2O12/c1-3-53-26-10-6-22(7-11-26)34(27-18-24(9-13-30(27)44)42-40(52)38(50)36(48)33(20-46)56-42)28-16-21(5-14-31(28)54-4-2)15-25-17-23(8-12-29(25)43)41-39(51)37(49)35(47)32(19-45)55-41/h5-14,16-18,32-42,45-52H,3-4,15,19-20H2,1-2H3/t32-,33-,34?,35-,36-,37+,38+,39-,40-,41+,42+/m1/s1

IUPAC

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[3-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-(4-ethoxyphenyl)methyl]-4-ethoxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat