KST-1A6338
[2-[(6R,8S,9R,10S,11S,13S,14S,16S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A6338|(6|A,11|A,16|A,17xi)-2-bromo-9,11-dichloro-6-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate|2-Bromo-9,11-dichloro-6-fluoro-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate|(17xi)-2-Bromo-9,11-dichloro-6-fluoro-16-methyl-3,20-dioxo-6beta,11beta,16beta-pregna-1,4-diene-17,21-diyl diacetate|[(6R,8S,10R,13S,14S,16S)-17-(2-acetyloxyacetyl)-2-bromo-6-fluoro-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate|[2-[(6R,8S,9R,10S,11S,13S,14S,16S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|2-((6R,9R,10S,11S,13S,16R,17R)-17-acetoxy-2-bromo-9,11-dichloro-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
| Molecular Formula | C26H30BrCl2FO6 |
|---|---|
| Molecular Weight | 606.05865 g/mol |
| LogP | 5.22 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 606.05865 |
| Heavy Atoms | 36 |
| Complexity | 1108.0 |
Chemical Identifiers
| CAS Number | 57781-61-0 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2(C1(C(=O)COC(=O)C)OC(=O)C)C)Cl)Cl)C)Br)F |
Product Overview
KST-1A6338 (CAS 57781-61-0), with molecular formula C26H30BrCl2FO6 and molecular weight 606.05865 g/mol. IUPAC: [2-[(6R,8S,9R,10S,11S,13S,14S,16S)-17-acetyloxy-2-bromo-9,11-dichloro-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
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