CAS 93701-19-0

Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-

Description:

Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-, with CAS number 93701-19-0, is a synthetic derivative of bile acids, specifically a methyl ester of a hydroxylated cholanoic acid. This compound features a steroidal structure characterized by a fused four-ring system typical of steroid compounds, with specific hydroxyl groups at the 3 and 7 positions, contributing to its biological activity. The presence of deuterium atoms (d5) indicates that it has been isotopically labeled, which can be useful in tracing metabolic pathways or studying its pharmacokinetics. The methyl ester form enhances its lipophilicity, potentially affecting its absorption and distribution in biological systems. This compound may be of interest in research related to cholesterol metabolism, bile acid synthesis, or as a potential therapeutic agent due to its structural similarity to naturally occurring bile acids. Its unique isotopic labeling and functional groups make it a valuable tool in biochemical studies.

Formula: C₂₅H₃₇D₅O₄

InChI: InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i9D2,13D2,17D

InChI key: InChIKey=GRQROVWZGGDYSW-IMKCYHQTSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C([C@](O)(C(C4)([2H])[2H])[2H])([2H])[2H])[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]

Synonyms:

• Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-

Ursodeoxycholic Acid-d5 Methyl Ester

Controlled Product

CAS: 93701-19-0

Formula: C₂₅H₃₇D₅O₄

Color and Shape: Neat

Molecular weight: 411.63

Ref: TR-U850052