6beta-Ethyl-7-Keto-Obeticholic Acid
This compound is a steroidal derivative built upon a 5β-cholan-24-oic acid scaffold. Distinct from obeticholic acid, it possesses a 6β-ethyl substituent, representing an epimer at the C-6 position relative to the parent drug's 6α-ethyl group. Further structural differentiation includes an oxidized carbonyl functionality at the C-7 position, replacing the 7α-hydroxyl group found in obeticholic acid. The 3α-hydroxyl group and the C-24 carboxylic acid are preserved. These specific modifications indicate its potential as a process-related impurity or degradation product. It is primarily utilized as a high-purity reference standard for the identification and quantification of impurities in obeticholic acid drug substance.
On Request📝 Synonyms
🔬 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-LYSFKXJOSA-N
![(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](/compound_images/3alpha-Hydroxy-7-Keto-6alpha-Ethyl-5?-Cholanic Acid.png)
