5130-29-0
| Name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| CAS | 5130-29-0 |
| Molecular Formula | C24H38O4 |
| MDL Number | MFCD00200664 |
| Molecular Weight | 390.56 |
| MOL File | 5130-29-0.mol |
Chemical Properties
| Melting point | 165-167 °C |
| Boiling point | 545.9±35.0 °C(Predicted) |
| density | 1.124±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml |
| form | A solid |
| pka | 4.74±0.10(Predicted) |
| color | White to off-white |
| InChIKey | CVNYHSDFZXHMMJ-VPUMZWJWSA-N |
| SMILES | C[C@H](CCC(O)=O)C1CC[C@@]([C@]21C)([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P301+P312+P330 |
| WGK Germany | WGK 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |