Raloxifene 6,4’-Bis(2,3,4,6-tetra-O-acetyl-Beta-D-glucuronide Methyl Ester)

Analyte Name

Raloxifene 6,4’-Bis(2,3,4,6-tetra-O-acetyl-beta-D-glucuronide Methyl Ester)

Molecular Formula

C54H59NO22S

Molecular Weight

1106.1

Accurate Mass

1105.32

SMILES

O=C(C1=CC=C(OCCN2CCCCC2)C=C1)C3=C(C4=CC=C(O[C@H]5[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C(OC)=O)O5)C=C4)SC6=C3C=CC(O[C@@H]7O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)=C6

InChI

InChI=1S/C54H59NO22S/c1-27(56)68-42-44(70-29(3)58)48(72-31(5)60)53(76-46(42)51(63)65-7)74-36-18-14-34(15-19-36)50-40(41(62)33-12-16-35(17-13-33)67-25-24-55-22-10-9-11-23-55)38-21-20-37(26-39(38)78-50)75-54-49(73-32(6)61)45(71-30(4)59)43(69-28(2)57)47(77-54)52(64)66-8/h12-21,26,42-49,53-54H,9-11,22-25H2,1-8H3/t42?,43?,44?,45?,46?,47?,48?,49?,53-,54-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-((3-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)-2-(4-(((2S,3R,4S,5S,6S)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)benzo[b]thiophen-6-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat