CAS 10147-45-2

Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (3β,5β)-

Description:

Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (3β,5β)-, commonly referred to as a steroid, is a chemical compound characterized by its structural features typical of steroid hormones. It possesses a steroid nucleus, which includes four fused carbon rings, and is modified with hydroxyl (-OH) and acetoxy (-OCOCH3) functional groups. The presence of the hydroxyl group at the 3-position and the acetoxy group at the 21-position indicates its potential biological activity, particularly in relation to hormonal functions. This compound is likely to exhibit properties associated with steroid hormones, such as involvement in metabolic processes and regulation of physiological functions. Its stereochemistry, denoted by the (3β,5β) configuration, suggests specific spatial arrangements of atoms that can influence its interaction with biological receptors. As a substance with a CAS number of 10147-45-2, it may be of interest in pharmacological research, particularly in the study of reproductive health and endocrine functions. However, detailed studies would be necessary to fully elucidate its biological roles and therapeutic potential.

Formula: C₂₃H₃₆O₄

InChI: InChI=1S/C23H36O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h15-20,25H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20-,22+,23+/m1/s1

InChI key: InChIKey=LNQFXEKUXJUUMN-OLCLNGENSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(COC(C)=O)=O)[H]

Synonyms:

• 5β-Pregnan-20-one, 3β,21-dihydroxy-, 21-acetate
• 21-Acetoxy-3β-hydroxy-5β-pregnan-20-one
• Pregnan-20-one, 21-(acetyloxy)-3-hydroxy-, (3β,5β)-