CID329257
[(1S,2R,7R,9S,11S,12S)-11-acetyloxy-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 4beta,15-diacetoxyscirpene-3,8-dione
CAS: 77620-55-4
| Molecular Formula | C19H22O8 |
|---|---|
| Molecular Weight | 378.13147 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.13147 |
| Monoisotopic Mass | 378.13147 |
| Heavy Atoms | 27 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 77620-55-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1=O)([C@]3([C@@H](C(=O)[C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | DQSOKUXXNKVRAY-RZDZEHBZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (2 patents)
Product Overview
CID329257 (CAS 77620-55-4), with molecular formula C19H22O8 and molecular weight 378.13147 g/mol. IUPAC: [(1S,2R,7R,9S,11S,12S)-11-acetyloxy-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-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.
View MSDS →
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