CAS 690996-27-1

Estra-1,3,5(10)-trien-17-one, 16-bromo-3-(phenylmethoxy)-, cyclic 1,2-ethanediyl acetal

Description:

Estra-1,3,5(10)-trien-17-one, 16-bromo-3-(phenylmethoxy)-, cyclic 1,2-ethanediyl acetal, identified by CAS number 690996-27-1, is a synthetic organic compound that belongs to the class of steroid derivatives. This compound features a complex structure characterized by a steroid backbone with a bromine substituent at the 16-position and a phenylmethoxy group at the 3-position, which contributes to its unique chemical properties. The cyclic 1,2-ethanediyl acetal moiety indicates the presence of an acetal functional group, which can influence the compound's reactivity and stability. Estra derivatives are often studied for their potential biological activities, particularly in relation to hormonal functions and therapeutic applications. The presence of the bromine atom may enhance lipophilicity, affecting the compound's solubility and interaction with biological membranes. Overall, this compound's structural features suggest potential utility in medicinal chemistry, particularly in the development of novel therapeutic agents targeting hormonal pathways.

Formula: C₂₇H₃₁BrO₃

InChI: InChI=1S/C27H31BrO3/c1-26-12-11-22-21-10-8-20(29-17-18-5-3-2-4-6-18)15-19(21)7-9-23(22)24(26)16-25(28)27(26)30-13-14-31-27/h2-6,8,10,15,22-25H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25?,26+/m1/s1

InChI key: InChIKey=RJRAXISCDDDEHO-GPNZQGTJSA-N

SMILES: C[C@@]12C3(C(Br)C[C@]1([C@]4([C@](CC2)(C=5C(CC4)=CC(OCC6=CC=CC=C6)=CC5)[H])[H])[H])OCCO3

Synonyms:

• Estra-1,3,5(10)-trien-17-one, 16-bromo-3-(phenylmethoxy)-, cyclic 1,2-ethanediyl acetal

Estetrol Impurity 11

CAS: 690996-27-1

Formula: C₂₇H₃₁BrO₃

Molecular weight: 483.45

Ref: 4Z-E-100015