CAS 52840-15-0

Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-

Description:

Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-, with CAS number 52840-15-0, is a synthetic derivative of cholanic acid, which is a steroid structure. This compound features multiple hydroxyl groups, contributing to its solubility and reactivity. The presence of deuterium atoms (d5) indicates that it has been isotopically labeled, which can be useful in various analytical applications, including tracing metabolic pathways. The methyl ester form suggests that it has been esterified, which can enhance its lipophilicity and influence its biological activity. This compound is likely to exhibit properties typical of steroid derivatives, such as hormonal activity, and may interact with biological systems in a manner similar to bile acids or steroid hormones. Its structural characteristics, including stereochemistry, play a crucial role in determining its biological function and potential therapeutic applications. As with many steroid derivatives, it may also have implications in research related to metabolism, pharmacology, and biochemistry.

Formula: C₂₅H₃₇D₅O₄

InChI: InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1/i11D2,13D2,17D

InChI key: InChIKey=ZHUOOEGSSFNTNP-ZEFXEABFSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C([C@](O)(C(C4)([2H])[2H])[2H])([2H])[2H])[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]

Synonyms:

• Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-

Methyl Desoxycholate-d5

Controlled Product

CAS: 52840-15-0

Applications Cholic Acid (C432600) derivative.

Formula: C₂₅H₃₇D₅O₄

Color and Shape: Neat

Molecular weight: 411.63

Ref: TR-M298237