AC1L7QRF
[15-chloro-14-hydroxy-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)-15-chloro-14-hydroxybufa-20,22-dienolide|[15-chloro-14-hydroxy-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: 39707-16-9
| Molecular Formula | C26H35ClO5 |
|---|---|
| Molecular Weight | 462.21732 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.21732 |
| Monoisotopic Mass | 462.21732 |
| Heavy Atoms | 32 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 39707-16-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(CC4C5=COC(=O)C=C5)Cl)O)C)C |
| InChIKey | ASFNWXQEOGLGST-UHFFFAOYSA-N |
Product Overview
AC1L7QRF (CAS 39707-16-9), with molecular formula C26H35ClO5 and molecular weight 462.21732 g/mol. IUPAC: [15-chloro-14-hydroxy-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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