1alpha,6beta,7beta,9alpha-Tetrahydroxy-8,13-epoxy-LABD-14-en-11-one
- Product Name1alpha,6beta,7beta,9alpha-Tetrahydroxy-8,13-epoxy-LABD-14-en-11-one
- CAS64657-20-1
- CBNumberCB5701050
- MFC20H32O6
- MW368.46
- MDL NumberMFCD00079118
- MOL File64657-20-1.mol
Chemical Properties
| Melting point: | 177 °C |
| Boiling point: | 512.1±50.0 °C(Predicted) |
| Density | 1.280±0.06 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 11.20±0.70(Predicted) |
| color | White to Off-White |
| InChIKey | WPDITXOBNLYZHH-KAACEJSMSA-N |
| SMILES | [C@@]12(C)[C@@H](O)[C@@H](O)[C@]3([H])[C@@](C)([C@@]1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H312 | |||||||||
| Precautionary statements | P280-P302+P352-P312-P322-P363-P501 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 21 | |||||||||
| Safety Statements | 36 | |||||||||
| WGK Germany | 3 | |||||||||
| NFPA 704: |
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