ABC00058UE

3alpha-Hydroxy-7-Keto-6alpha-Ethyl-5?-Cholanic Acid

This compound is a steroidal carboxylic acid derivative featuring a 5ฮฒ-cholanic acid framework. It possesses a 3ฮฑ-hydroxyl group and a 6ฮฑ-ethyl substituent, structurally analogous to the core modification in Obeticholic acid. A distinct 7-keto functionality differentiates this impurity, resulting from the oxidation of the C7 hydroxyl present in the parent drug. The molecule also contains the characteristic C24 carboxylic acid at the end of the side chain. Its specific application is as an HPLC reference standard for quantifying an oxidative impurity of Obeticholic acid.

On Request
Molecular Formula C26H42O4
Molecular Weight 418.6000
CAS Number 915038-26-5 โœ“ Verified
PubChem CID 67102585 โ†—
Purity 95%
Product Type API Impurity
Parent Drug Obeticholic acid
Lead Time 14 Days
IUPAC Name (R)-4-((3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

๐Ÿ“ Synonyms

915038-26-5; (R)-4-((3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; (3alpha,5beta,6alpha)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid; 5Q3EE9PB98; UNII-5Q3EE9PB98; (3 A,5 A,6 A)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid; (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid; 3alpha-hydroxy-6alpha-ethyl-7-keto-5beta-cholan-24-oic acid; 3 A-hydroxy-6-ethyl-7-keto-5 A-cholan-24-oic acid; 3alpha-Hydroxy-6alpha-ethyl-7-keto-5beta-cholanic acid

๐Ÿ”ฌ Chemical Identifiers

C(C)[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@@]3([C@H](CC[C@H]3[C@@H]2C1=O)[C@@H](CCC(=O)O)C)C)C)O
InChI=1S/C26H42O4/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/h15-21,23,27H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,25-,26-/m1/s1
LHSZAKRHUYJKIU-CNFLPKCYSA-N

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