Estriol16,17-diacetate

CAS: 805-26-5

Ref. 3D-FE148872

Product Information

• Name: Estriol16,17-diacetate
• Synonyms: (16Α,17Β)-3-Hydroxyestra-1,3,5(10)-Triene-16,17-Diyl Diacetate

Description

Estriol 16,17-diacetate is a synthetic compound that has been chemically modified to produce a more stable product. It is metabolized by enzymatic hydrolysis and methylation, glucuronidation, and enzymatic monoglucuronides. It also undergoes etherification, sulfation, and magnetic resonance spectroscopy (MR) analysis. Estriol 16,17-diacetate is an ether with 1H-nuclear magnetic resonance (NMR) properties. The sulfur containing group in the molecule undergoes debenzylation and the monomethyl group can be replaced by another functional group.

• Brand: Biosynth

Chemical properties

• Molecular weight: 372.45 g/mol
• Formula: C₂₂H₂₈O₅
• Purity: Min. 95%
• InChI: InChI=1S/C22H28O5/c1-12(23)26-20-11-19-18-6-4-14-10-15(25)5-7-16(14)17(18)8-9-22(19,3)21(20)27-13(2)24/h5,7,10,17-21,25H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1
• InChI key: InChIKey=OSRHRAOBVGHGFZ-BTOHRNCKSA-N
• SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1OC(C)=O