CAS 350820-03-0

(13S,17S)-16,16,17-trideuterio-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthrene-3,17-diol

Description:

The chemical substance known as "(13S,17S)-16,16,17-trideuterio-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthrene-3,17-diol" with CAS number 350820-03-0 is a deuterated derivative of a steroid-like compound. Its structure features a complex polycyclic framework, characteristic of many steroid compounds, which includes multiple fused rings. The presence of deuterium atoms indicates that this compound has been isotopically labeled, which can be useful in various applications such as tracing metabolic pathways or enhancing NMR spectroscopy studies. The specific stereochemistry, denoted by the (13S,17S) configuration, suggests that the compound has defined spatial arrangements of its atoms, which can significantly influence its biological activity and interactions. The hydroxyl groups (-OH) at positions 3 and 17 contribute to its potential reactivity and solubility in polar solvents. Overall, this compound's unique isotopic labeling and structural features make it of interest in both research and pharmaceutical contexts, particularly in studies related to steroid metabolism and function.

Formula: C₁₈H₁₉D₃O₂

InChI: InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14?,16?,17-,18-/m0/s1/i7D2,17D

SMILES: C[C@]12CCC3c4ccc(cc4CC=C3C1CC([C@@]2(O)[2H])([2H])[2H])O

17β-Dihydroequilin-16,16,17-d3

CAS: 350820-03-0

Purity: 98 atom % D

Color and Shape: White-Pale Yellow Solid.

Molecular weight: 273.40

Ref: 3U-D4260

17β-Dihydro Equilin-16,16,17-d3

Controlled Product

CAS: 350820-03-0

Applications A labelled metabolite of Equilin (E592800).
References Enmark, E., et al.: J. Clin. Endocrinol. Metab., 82, 4258 (1997), Wang, Z., et al.: J. Med. Chem., 43, 2419 (2000), Jiang, X., et al.: Steroids, 71, 334 (2006),

Formula: C₁₈₂H₃H₁₇O₂

Color and Shape: Neat

Molecular weight: 271.37

Ref: TR-D449132