Acetyldiethylstilbestrol 2,3,4-Tri-O-acetyl-Beta-D-glucuronide Methyl Ester
Product Code
TRC-A173650
CAS Number
Product Format
Neat
Molecular Formula
C33 H38 O12
Molecular Weight
626.65
Product Categories
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Acetyldiethylstilbestrol 2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester
CAS Number
40269-22-5
Molecular Formula
C33 H38 O12
Molecular Weight
626.65
Accurate Mass
626.2363
SMILES
CC\C(=C(\CC)/c1ccc(OC(=O)C)cc1)\c2ccc(O[C@@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)C(=O)OC)cc2
InChI
InChI=1S/C33H38O12/c1-8-26(22-10-14-24(15-11-22)40-18(3)34)27(9-2)23-12-16-25(17-13-23)44-33-31(43-21(6)37)29(42-20(5)36)28(41-19(4)35)30(45-33)32(38)39-7/h10-17,28-31,33H,8-9H2,1-7H3/b27-26+/t28-,29-,30-,31+,33+/m0/s1
IUPAC
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(E)-4-(4-acetyloxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylate
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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