Chaparrinone triacetate,15-dehydro
(3,15-diacetyloxy-7-hydroxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate
Also Known As: CHAPARRINONE TRIACETATE,15-DEHYDRO|5-Hydroxy-.DELTA.14,15-chaparrinone triacetate|5-Hydroxy-2,11,16-trioxopicrasa-3,14-diene-1,12,20-triyl triacetate
CAS: 79802-82-7
| Molecular Formula | C26H30O11 |
|---|---|
| Molecular Weight | 518.17883 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.17883 |
| Monoisotopic Mass | 518.17883 |
| Heavy Atoms | 37 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 79802-82-7 |
|---|---|
| SMILES | CC1C(C(=O)C2C3(C(C(=O)C=C(C3(CC4C2(C1=CC(=O)O4)COC(=O)C)O)C)OC(=O)C)C)OC(=O)C |
| InChIKey | BDIVMRHJDSWSND-UHFFFAOYSA-N |
Product Overview
Chaparrinone triacetate,15-dehydro (CAS 79802-82-7), with molecular formula C26H30O11 and molecular weight 518.17883 g/mol. IUPAC: (3,15-diacetyloxy-7-hydroxy-2,6,14-trimethyl-4,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-dien-17-yl)methyl acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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