Estrone β-D-Glucuronide Triacetate Methyl Ester

CAS: 27537-72-0

Ref. TR-E889045

Product Information

• Name: Estrone β-D-Glucuronide Triacetate Methyl Ester
• Synonyms: 17-Oxoestra-1,3,5(10)-trien-3-yl-beta-D-glucopyranosiduronic Acid Triacetate Methyl Ester, 3-(beta-D-Glucopyranuronosyloxy)-estra-1,3,5(10)-trien-17-one Methyl Ester Triacetate
• Brand: TRC
• Description: Applications Estrone β-D-Glucuronide Triacetate Methyl Ester is a metabolite of 17β -Estradiol (E888000), used in the preparation of Estrone (E889050).References Werschkun, B. et al.: J. Carb. Chem., 18, 629 (1999); Honma, S. et al.: Chem. Pharm. Bull., 22, 687 (1974)

Chemical properties

• Molecular weight: 586.63
• Formula: C₃₁H₃₈O₁₁
• Color/Form: Neat
• InChI: InChI=1S/C31H38O11/c1-15(32)38-25-26(39-16(2)33)28(40-17(3)34)30(42-27(25)29(36)37-5)41-19-7-9-20-18(14-19)6-8-22-21(20)12-13-31(4)23(22)10-11-24(31)35/h7,9,14,21-23,25-28,30H,6,8,10-13H2,1-5H3/t21-,22-,23+,25+,26?,27+,28?,30-,31+/m1/s1
• InChI key: InChIKey=CIETWAVQDXKISQ-IRWMPLOPSA-N
• SMILES: COC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O