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CAS 52886-36-9

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Cholan-24-oic-24-13Cacid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)-

Description:
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3a,5b,7a,12a)-, also known by its CAS number 52886-36-9, is a steroid compound characterized by its complex structure that includes multiple hydroxyl (-OH) functional groups. This compound is a derivative of cholanic acid, which is a key component in bile acids, playing a crucial role in lipid digestion and absorption. The presence of three hydroxyl groups contributes to its hydrophilicity, enhancing its solubility in biological fluids. The specific stereochemistry indicated by the (3a,5b,7a,12a) configuration suggests a particular spatial arrangement of atoms that can influence its biological activity and interaction with receptors. Cholan-24-oic acid is of interest in biochemical research, particularly in studies related to metabolism, cholesterol regulation, and potential therapeutic applications. Its unique structural features may also provide insights into the development of drugs targeting metabolic disorders. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function in steroid chemistry.
Formula:C24H40O5
InChI:InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i21+1
InChI key:BHQCQFFYRZLCQQ-HFINQHRVSA-N
SMILES:C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Synonyms:
  • Cholic-24-13Cacid
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