CAS 52840-14-9

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

Description:

Cholan-2,2,3,4,4-d5-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-, with the CAS number 52840-14-9, is a synthetic derivative of cholanic acid, which is a steroid compound. This substance is characterized by its hydroxyl groups at the 3 and 12 positions, contributing to its solubility and biological activity. The presence of deuterium atoms (d5) indicates that it has been isotopically labeled, which can be useful in various research applications, including metabolic studies and tracing pathways in biological systems. The specific stereochemistry (3α,5β,12α) denotes the spatial arrangement of atoms in the molecule, which is crucial for its interaction with biological receptors and enzymes. This compound is often studied for its potential roles in biochemistry, particularly in relation to bile acids and steroid metabolism. Its unique structure may also influence its pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₂₄H₃₅D₅O₄

InChI: InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2,16D

InChI key: InChIKey=KXGVEGMKQFWNSR-ANCDPKSQSA-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(O)=O)C)[H])[H]

Synonyms:

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

Deoxycholic Acid-d5

Controlled Product

CAS: 52840-14-9

Applications A labelled Cholic Acid (C432600) derivative used as a component in cell lysis buffers.
References Tuangtong, R. et al.: Dermatol. Surg., 36, 899 (2010); Araki, Y. et al.: Scand. J. Gast., 36, 533 (2001);

Formula: C₂₄H₃₅D₅O₄

Color and Shape: Off-White

Molecular weight: 397.6

Ref: TR-D232647