3b,12a-Dihydroxy-5a-cholanoic acid

Base Information

• Chemical Name: 3b,12a-Dihydroxy-5a-cholanoic acid
• CAS No.: 2569-04-2
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.579
• Wikidata: Q63409358
• Metabolomics Workbench ID: 36288
• Mol file: 2569-04-2.mol

Synonyms:3b,12a-Dihydroxy-5a-cholanoic acid;3beta,12alpha-Dihydroxy-5alpha-cholan-24-oic Acid;3-epi-deoxycholate;3-epi-deoxycholic acid;3b,12a-Dihydroxy-5a-cholanoate;CHEBI:172628;LMST04010046;5beta-Cholanic acid-3beta,12alpha-diol;(4R)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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;2569-04-2;3b,12a-dihydroxy-(5a)-cholan-24-oate;3b,12a-dihydroxy-(5a)-cholan-24-oic acid;3beta,12alpha-Dihydroxy-5alpha-cholanoic acid;Q63409358;(R)-4-((3S,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Chemical Property of 3b,12a-Dihydroxy-5a-cholanoic acid

Chemical Property:

• Vapor Pressure: 2.98E-14mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 547.1°Cat760mmHg
• Flash Point: 298.8°C
• PSA: 77.76000
• Density: 1.128g/cm³
• LogP: 4.47790
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 392.29265975
• Heavy Atom Count: 28
• Complexity: 605

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
• Uses: 3β,12α-Dihydroxy-5α-cholanoic Acid is used as an additive in mammal diets and may have hypocholesterolemic effects.

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