Daturametelin I structure
|
Common Name | Daturametelin I | ||
|---|---|---|---|---|
| CAS Number | 904667-65-8 | Molecular Weight | 616.739 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 828.8±65.0 °C at 760 mmHg | |
| Molecular Formula | C34H48O10 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 261.6±27.8 °C | |
| Name | Daturametelin I |
|---|---|
| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 828.8±65.0 °C at 760 mmHg |
| Molecular Formula | C34H48O10 |
| Molecular Weight | 616.739 |
| Flash Point | 261.6±27.8 °C |
| Exact Mass | 616.324768 |
| PSA | 162.98000 |
| LogP | 1.56 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.615 |
| InChIKey | ZKPXDCPRHDFPTL-UHFFFAOYSA-N |
| SMILES | CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5C=CCC(=O)C5(C)C4CCC23C)C1 |
| Hazard Codes | Xi |
|---|
| Ergosta-3,5,24-triene-1,26-dione, 22,26-epoxy-27-(β-D-glucopyranosyloxy)-7-hydroxy-, (7α,22R)- |
| (7α,22R)-7-Hydroxy-1,26-dioxo-22,26-epoxyergosta-3,5,24-trien-27-yl β-D-glucopyranoside |