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CAS 47676-48-2

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Ethyl cholate

Description:
Ethyl cholate, with the CAS number 47676-48-2, is a bile acid derivative that plays a role in various biochemical processes. It is characterized by its structure, which includes a steroid nucleus with hydroxyl groups and an ethyl ester functional group. Ethyl cholate is typically a white to off-white solid, and it is soluble in organic solvents but has limited solubility in water due to its hydrophobic steroid core. This compound is known for its biological significance, particularly in the context of digestion and fat absorption, as it can influence the emulsification of lipids. Additionally, ethyl cholate may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, ethyl cholate serves as an important model compound for studying bile acids and their derivatives in both physiological and pharmaceutical contexts.
Formula:C26H44O5
InChI:InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChI key:InChIKey=FPDXMWHJGOCDQJ-HZAMXZRMSA-N
SMILES:O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(OCC)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Synonyms:
  • Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3α,5β,7α,12α)-
  • Cholic acid, ethyl ester
  • Ethyl (3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholan-24-Oate
  • Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • Ethyl cholate
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