4-[(5S,7S,8S,10S,13R,17R)-3,7,12-Trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

• CAS: 2955-27-3
• Catalog Number: ACM2955273
• Category: Other Products
• Molecular Weight: 0
• Molecular Formula: C₂₄H₄₀O₅
• Synonyms: 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;Ursocholic acid;7-Epicholic Acid;7β-Hydroxyisocholic Acid;(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Custom Q&A

What is the molecular formula of ursocholic acid?

The molecular formula of ursocholic acid is C24H40O5.

What are some synonyms for ursocholic acid?

Some synonyms for ursocholic acid are ursocholate and 7-Epicholic acid.

What is the molecular weight of ursocholic acid?

The molecular weight of ursocholic acid is 408.6 g/mol.

What is the role of ursocholic acid as mentioned in the reference?

Ursocholic acid has a role as a human urinary metabolite and an EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor.

What is the IUPAC name of ursocholic acid?

The IUPAC name of ursocholic acid is (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.

What is the InChIKey of ursocholic acid?

The InChIKey of ursocholic acid is BHQCQFFYRZLCQQ-UTLSPDKDSA-N.

What is the Canonical SMILES of ursocholic acid?

The Canonical SMILES of ursocholic acid is CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.

What is the CAS number for ursocholic acid?

The CAS number for ursocholic acid is 2955-27-3.

How many hydrogen bond acceptor count does ursocholic acid have?

Ursocholic acid has a hydrogen bond acceptor count of 5.

What is the topological polar surface area of ursocholic acid?

The topological polar surface area of ursocholic acid is 98.2.