2955-27-3
| Name | 4-[(5S,7S,8S,10S,13R,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 |
| CAS | 2955-27-3 |
| EINECS(EC#) | 200-258-5 |
| Molecular Formula | C24H40O5 |
| MDL Number | MFCD25563269 |
| Molecular Weight | 408.58 |
| MOL File | 2955-27-3.mol |
Chemical Properties
| Melting point | 144 °C |
| Boiling point | 489.08°C (rough estimate) |
| density | 1.0263 (rough estimate) |
| refractive index | 1.5400 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly) |
| form | Solid |
| pka | 4.76±0.10(Predicted) |
| color | White to Pale Beige |
| Water Solubility | 682.3mg/L(25 ºC) |
| InChIKey | BHQCQFFYRZLCQQ-SURSGXJKNA-N |
| SMILES | O[C@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]12[H])C |&1:1,3,6,10,12,15,17,18,20,29,31,r| |