CAS 459789-99-2: (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
Description:The chemical substance known as (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid, with the CAS number 459789-99-2, is a steroid derivative characterized by its specific structural features. It belongs to the class of bile acids and is notable for containing hydroxyl groups at the 3 and 7 positions, which contribute to its solubility and biological activity. The presence of an ethyl group at the 6 position modifies its hydrophobic and hydrophilic balance, influencing its interaction with biological membranes and receptors. This compound is likely to exhibit significant biological activity, potentially affecting lipid metabolism and signaling pathways. Its stereochemistry, indicated by the alpha and beta designations, plays a crucial role in determining its pharmacological properties and interactions with enzymes and transport proteins. Overall, this compound's unique structure suggests potential applications in medicinal chemistry and biochemistry, particularly in the study of metabolic disorders and therapeutic interventions related to bile acid metabolism.
Formula:C26H44O4
InChI:InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
InChI key:InChIKey=ZXERDUOLZKYMJM-ZWECCWDJSA-N
SMILES:O=C(O)CCC(C)C1CCC2C3C(O)C(CC)C4CC(O)CCC4(C)C3CCC12C
- Synonyms:
- (3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
- 3α,7β-Dihydroxy-6α-ethyl-5β-cholan-24-oic acid
- 6-Ecdca
- 6-Ethylchenodeoxycholic acid
- 6α-Ethylchenodeoxycholic acid
- Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3α,5β,6α,7α)-
- Int 747
- Obeticholic Acid
- Ocaliva
