Methyl Raloxifene-d4 6-(2,3,4-Tri-O-acetyl-Beta-D-glycopyranuronate)
Product Code
TRC-M326237
Product Format
Neat
Molecular Formula
C41H39D4NO13S
Molecular Weight
793.87
Product Categories
Product Type
Stable Isotope LabelledDocumentation
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Product Information
Chemical Data
Analyte Name
Methyl Raloxifene-d4 6-(2,3,4-Tri-O-acetyl-beta-D-glycopyranuronate)
Molecular Formula
C41H39D4NO13S
Molecular Weight
793.87
Accurate Mass
793.27
SMILES
OC(C=C1)=CC=C1C(S2)=C(C(C3=CC=C(OC([2H])([2H])C([2H])([2H])N4CCCCC4)C=C3)=O)C5=C2C=C(O[C@@H]6O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)C=C5
InChI
InChI=1S/C41H43NO13S/c1-23(43)51-35-36(52-24(2)44)38(53-25(3)45)41(55-37(35)40(48)49-4)54-30-16-17-31-32(22-30)56-39(27-8-12-28(46)13-9-27)33(31)34(47)26-10-14-29(15-11-26)50-21-20-42-18-6-5-7-19-42/h8-17,22,35-38,41,46H,5-7,18-21H2,1-4H3/t35-,36-,37-,38+,41+/m0/s1/i20D2,21D2
IUPAC
(2S,3R,4S,5S,6S)-2-((2-(4-hydroxyphenyl)-3-(4-(2-(piperidin-1-yl)ethoxy-1,1,2,2-d4)benzoyl)benzo[b]thiophen-6-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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