Dioxolithocholic acid
| Catalog Number | BL-M000478 |
| CAS Number | 517-33-9 |
| Description | 7,12-Diketolithocholic acid is a bile acid. |
 | |
| IUPAC Name | (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Synonyms | 7,12-Dioxolithocholic acid; 3-Hydroxy-7,12-diketocholanoic acid; 7,12-Diketolithocholic acid; 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid; (5β)-3α-hydroxy-7,12-dioxo-cholan-24-oic acid; 3α-Hydroxy-7,12-dioxo-5β-cholan-24-oic Acid; (3α,5β)-3-Hydroxy-7,12-dioxocholan-24-oic Acid |
| Molecular Weight | 404.55 |
| Molecular Formula | C24H36O5 |
| Purity | >99% |
| Solubility | Soluble in Methanol (Slightly), Water (Slightly) |
| Appearance | White to Off-white Solid |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 71.26%, H 8.97%, O 19.77% |
| Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1 |
| InChI Key | MAFJMPFLJJCSTB-FQBQTYDJSA-N |
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