3-(Acetyloxy)carda-14,20(22)-dienolide
[10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-(acetyloxy)carda-14,20(22)-dienolide|[10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS: 42914-77-2
| Molecular Formula | C25H34O4 |
|---|---|
| Molecular Weight | 398.2457 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.2457 |
| Monoisotopic Mass | 398.2457 |
| Heavy Atoms | 29 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 42914-77-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CCC4C5=CC(=O)OC5)C)C |
| InChIKey | CKFRUFAILBIDGU-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)carda-14,20(22)-dienolide (CAS 42914-77-2), with molecular formula C25H34O4 and molecular weight 398.2457 g/mol. IUPAC: [10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 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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