CUCURBITACIN D
- Product NameCUCURBITACIN D
- CAS3877-86-9
- MFC30H44O7
- MW516.67
- EINECS
- MOL File3877-86-9.mol
Chemical Properties
| Melting point | 151.5°C |
| Boiling point | 521.47°C (rough estimate) |
| Density | 1.0814 (rough estimate) |
| refractive index | 1.5820 (estimate) |
| storage temp. | 4°C, protect from light |
| solubility | Soluble in ethanol and methan |
| form | powder |
| pka | 12.66±0.29(Predicted) |
| color | White |
| InChIKey | SRPHMISUTWFFKJ-VZBBWSTBNA-N |
| SMILES | [C@@]12(C)C[C@@H](O)[C@]([H])([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C[C@@H](C(=O)C(C)(C)C3=CCC21)O |&1:0,3,5,7,18,23,25,28,r| |
| LogP | 1.480 (est) |
| CAS DataBase Reference | 3877-86-9 |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | WGK 2 |
| HS Code | 29144000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral |
| Toxicity | LD50 oral in rat: 8200ug/kg |
