| Identification | Back Directory | [Name]
3-hydroxy-7,12-diketocholanoic acid | [CAS]
517-33-9 | [Synonyms]
3-hydroxy-7,12-diketocholanoic acid
Cholic Acid IMpurity (3-alpha-Hydroxy-7,12-diketo-5-beta-cholan-24-oic acid) | [Molecular Formula]
C24H36O5 | [MOL File]
517-33-9.mol | [Molecular Weight]
404.54 |
| Chemical Properties | Back Directory | [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) | [form ]
Solid | [pka]
4.74±0.10(Predicted) | [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 |
| Hazard Information | Back Directory | [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. |
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