CAS 81072-41-5

(8R,13S,16R)-4,16-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Description:

The chemical substance with the name "(8R,13S,16R)-4,16-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one" and CAS number "81072-41-5" is a complex organic compound characterized by its multi-ring structure, which is typical of steroid-like molecules. It features multiple chiral centers, indicated by the stereochemical descriptors (8R, 13S, 16R), which contribute to its three-dimensional conformation and potentially influence its biological activity. The presence of bromine atoms suggests that it may exhibit unique reactivity and properties compared to its non-brominated counterparts. Additionally, the hydroxyl group (–OH) indicates potential for hydrogen bonding, which can affect solubility and interaction with biological targets. The compound's octahydro structure implies it is saturated, which may influence its stability and reactivity. Overall, this substance may have applications in medicinal chemistry or as a research tool, although specific biological activities and applications would require further investigation.

Formula: C₁₈H₂₀Br₂O₂

InChI: InChI=1/C18H20Br2O2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,21H,2-3,6-8H2,1H3/t10?,11-,13?,14-,18+/m1/s1

4,16a-Dibromoestrone

Controlled Product

CAS: 81072-41-5

4,16a-Dibromoestrone is a brominated triol that is synthesized by the reductive borohydride reduction of estriol. The reduction of estriol with sodium borohydride in methanol yields 4,16a-dibromoestrone in high yield. The conversion from estriol to 4,16a-dibromoestrone can be performed using either palladium or chloride. This product has been shown to be an efficient reductive agent for the synthesis of methyl esters from carboxylic acids. This product also undergoes glucuronidation.

Formula: C₁₈H₂₀Br₂O₂

Purity: Min. 95%

Molecular weight: 428.16 g/mol

Ref: 3D-FD21566