Compound Q&A
What is (3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid (CAS: 459789-99-2)?
Answer
This compound, with the CAS number 459789-99-2, is a bile acid derivative characterized by specific stereochemistry at positions 3, 5, 6, 7, and 8. It contains hydroxyl groups at the 3 and 7 positions, an ethyl group at the 6 position, and a carboxylic acid group at the 24 position. It is known for its structural similarity to natural bile acids and is often used in research for its potential biological activities.
About
CAS No
459789-99-2
English Name
(3alpha,5beta,6alpha,7alpha,8xi)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
Molecular Formula
C26H44O4
Molecular Weight
420.63400000000024 g/mol
SMILES
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N
Last Updated: 2025-08-25 01:08
