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| | 3-hydroxy-7,12-diketocholanoic acid Basic information |
| Product Name: | 3-hydroxy-7,12-diketocholanoic acid | | Synonyms: | Cholic Acid IMpurity (3-alpha-Hydroxy-7,12-diketo-5-beta-cholan-24-oic acid);7,12-dioxolitocholic acid;Cholic Acid Impurity 18 (3-alpha-Hydroxy-7,12-diketo-5-beta-cholan-24-oic acid);5β-CHOLANIC acid-3α-OL-7, 12-DIONE;Cholan-24-oic acid, 3-hydroxy-7,12-dioxo-, (3α,5β)-;Ursodeoxycholic Acid Impurity 13;7,12-diketo-LCA;3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid | | CAS: | 517-33-9 | | MF: | C24H36O5 | | MW: | 404.54 | | EINECS: | | | Product Categories: | | | Mol File: | 517-33-9.mol |  |
| | 3-hydroxy-7,12-diketocholanoic acid Chemical Properties |
| Melting point | 190-192 °C(Solv: acetone (67-64-1)) | | Boiling point | 582.2±50.0 °C(Predicted) | | density | 1.176±0.06 g/cm3(Predicted) | | storage temp. | Hygroscopic, Refrigerator, under inert atmosphere | | solubility | Methanol (Slightly), Water (Slightly) | | pka | 4.74±0.10(Predicted) | | form | Solid | | color | White to Off-White | | InChIKey | MAFJMPFLJJCSTB-UYTGTBPWNA-N | | SMILES | C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)C(=O)C2 |&1:4,8,10,12,14,19,20,r| | | CAS DataBase Reference | 517-33-9 |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 |
| | 3-hydroxy-7,12-diketocholanoic acid Usage And Synthesis |
| Uses | 3-Hydroxy-7,12-diketocholanoic Acid is a bile acid salt as biosurfactants. | | Definition | ChEBI: 7,12-dioxolithocholic acid is a bile acid that is lithocholic acid carrying two additional oxo substituents at positions 7 and 12. It has a role as a bacterial metabolite. It is a bile acid, a monohydroxy-5beta-cholanic acid, an oxo-5beta-cholanic acid, a 7-oxo steroid, a 12-oxo steroid and a 3alpha-hydroxy steroid. It is functionally related to a lithocholic acid. It is a conjugate acid of a 7,12-dioxolithocholate. |
| | 3-hydroxy-7,12-diketocholanoic acid Preparation Products And Raw materials |
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Tag:3-hydroxy-7,12-diketocholanoic acid(517-33-9)
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(4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-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
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