AC1L7VNH
[14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide|[14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS: 4534-19-4
| Molecular Formula | C26H36O6 |
|---|---|
| Molecular Weight | 444.2512 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.2512 |
| Monoisotopic Mass | 444.2512 |
| Heavy Atoms | 32 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 4534-19-4 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(CC4C5=COC(=O)C=C5)O)O)C)C |
| InChIKey | XFPUHZSRQDIMPV-UHFFFAOYSA-N |
Product Overview
AC1L7VNH (CAS 4534-19-4), with molecular formula C26H36O6 and molecular weight 444.2512 g/mol. IUPAC: [14,15-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[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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