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CAS#: 54781-72-5 Product: Rhodomollein XIII No suppilers available for the product. |
| Name | Rhodomollein XIII |
|---|---|
| Synonyms | Grayanotoxane-3,5,6,10,14,16-Hexol, 6-Acetate, (3-Beta,6-Beta,14R)- |
| Molecular Structure |  |
| Molecular Formula | C22H36O7 |
| Molecular Weight | 412.52 |
| CAS Registry Number | 54781-72-5 |
| SMILES | [C@H]23C1([C@@H](O)C([C@](O)(C1)C)CC2)C[C@@H](OC(=O)C)[C@@]4(O)[C@H]([C@@]3(O)C)C[C@H](O)C4(C)C |
| InChI | 1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3/t12?,13-,14-,15-,16+,17-,19+,20+,21?,22-/m0/s1 |
| InChIKey | FAQBWQCBGONEEW-NRRITJRQSA-N |
| Density | 1.33g/cm3 (Cal.) |
|---|---|
| Boiling point | 566.225°C at 760 mmHg (Cal.) |
| Flash point | 191.068°C (Cal.) |
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