Acetyldiethylstilbestrol 2,3,4-Tri-O-Acetyl-D-Glucuronide Methyl Ester
[CAS# 40269-22-5]

Identification

• Name: Acetyldiethylstilbestrol 2,3,4-Tri-O-Acetyl-D-Glucuronide Methyl Ester
• Synonyms: 4-[2-[4-(Acetyloxy)Phenyl]-1-Ethyl-1-Butenyl]Phenyl-D-Glucopyranosiduronic Acid Methyl Ester Triacetate; Acetyldiethylstilbestrol 2,3,4-Tri-O-Acetyl--D-Glucuronide Methyl Ester
• Molecular Formula: C₃₃H₃₈O₁₂
• Molecular Weight: 626.65
• CAS Registry Number: 40269-22-5
• SMILES: COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)/C(=C(/c2ccc(cc2)OC(=O)C)\CC)/CC)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• 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-