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Allocholic acid · CAS 2464-18-8 · C24H40O5. UNII NS00120395. Melting Point: 250 - 251 °C.
| CAS Registry Number | 2464-18-8 |
|---|---|
| PubChem CID | 160636 |
| Molecular formula | C24H40O5 |
| IUPAC name | (4R)-4-[(3R,5R,7R,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 |
| UNII (FDA) | NS00120395 |
| Molecular Weight | 408.6 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.28757437 |
| Monoisotopic Mass | 408.28757437 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Melting Point | 250 - 251 °C |
|---|
Allocholic acid; 2464-18-8; 5alpha-cholic acid; 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid; CHEBI:81308; 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid; RefChem:110799; 3 alpha,7 alpha,12 alpha-trihydroxy-5 alpha-cholan-24-oic acid; 5a-cholic acid; MFCD28359001; Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5alpha,7alpha,12alpha)-; 3-a,7-a,12-a-Trihydroxy-5-a-cholanoic Acid; 5a-Cholic Acid;; 5a-Allocholate; 5a-Cholate; DTXSID60859117; 5a-Allocholic acid
CAS 2464-18-8; molecular formula C24H40O5; molecular weight — g/mol.
Allocholic acid, 2464-18-8, 5alpha-cholic acid, 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid, CHEBI:81308, 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid.
Melting Point: 250 - 251 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.