Lithocholic acid
Product Description
| Product | Lithocholic acid |
| CAS | 434-13-9 |
| Formula | C24H40O3 |
| Synonym | Cholan-24-oic acid, 3-hydroxy-, (3a,5ß)-, 5ß-Cholan-24-oic acid, 3a-hydroxy-, Lithocolic acid, 3a-Hydroxy-5ß-cholanic acid, 3a-Hydroxy-5ß-cholanoic acid, 3a-Hydroxycholanic acid, 3-Hydroxycholan-24-oic acid, 5ß-Cholanic acid-3a-ol, 5-ß-Cholanic acid, 3-a-hydroxy-, 17-ß-(1-Methyl-3-carboxypropyl)ethiocholan-3-a-ol, NCI-C03861, 3a-Hydroxy-5ß-cholan-24-oic acid, NSC 683770, 3-HYDROXYCHOLANIC ACID, 3ALPHA-HYDROXYCHOLANIC ACID, 3ALPHA-HYDROXY-5BETA-CHOLANIC ACID, 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID, 5BETA-CHOLAN-24-OIC ACID-3A-OL, 5BETA-CHOLAN-24-OIC ACID-3ALPHA-OL, 5BETA-CHOLANIC ACID-3ALPHA-OL, LITHOCHOLIC ACID |
Typical Product Specifications
| Molecular weight | 376.57 |
| EINECS | 207-099-1 |
| SMILES | C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@H]3[C@@](CC[C@H](O)C3)(C)[C@@H]2C1)[C@@H](CCC(=O)O)C)C |
| InChI | 1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m0/s1 |
| Vapor Pressure | 2.58E-11 mm Hg |
| Water solubility | 0.377 mg/L |
| log P (octanol-water) | 6.190 |
| Henry's Law Constant | 3.86E-10 atm-m3/mole |
| Atmospheric OH Rate Constant | 4.38E-11 cm3/molecule-sec |
| Melting Point | 186 ° C |
| Refractive Index | 35.5 ° (C=1, EtOH) |
| Storage Temperature | Refrigerator |
| Form | Powder |
| Flash Point | 9? |
| Merck | 5545 |
| Melting Point | 183-188 °C |
| Color | White to off-white |
| Flash Point | 9? |
| Class | Specialty Chemicals |
| Function | Intermediates, Acid |
| Industry | Pharmaceutical, Detergent |
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