42895-58-9
| Name | 14-DEOXY-11,12-DIDEHYDROANDROGRAPHOLIDE |
| CAS | 42895-58-9 |
| EINECS(EC#) | 226-852-5 |
| Molecular Formula | C20H28O4 |
| MDL Number | MFCD07778081 |
| Molecular Weight | 332.43 |
| MOL File | 42895-58-9.mol |
Chemical Properties
| Melting point | 204-205℃ |
| Boiling point | 519.6±50.0 °C(Predicted) |
| density | 1.17 |
| storage temp. | Store at -20°C |
| solubility | DMF: 10 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 2 mg/ml |
| form | neat |
| pka | 14.80±0.70(Predicted) |
| color | White to off-white |
| Major Application | food and beverages |
| InChI | 1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1 |
| InChIKey | XMJAJFVLHDIEHF-CRBRZBHVSA-N |
| SMILES | C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C3=CCOC3=O |