KST-1A6336
[2-[(6R,8S,10R,13S,14S,16R)-17-acetyloxy-2-bromo-6-fluoro-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A6336|EINECS 260-957-7|(6|A,16|A,17xi)-2-bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate|2-Bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate|(17xi)-2-Bromo-6-fluoro-16-methyl-3,20-dioxo-6beta,16alpha-pregna-1,4,9(11)-triene-17,21-diyl diacetate|[(6R,8S,10R,13S,14S,16R)-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,10R,13S,14S,16R)-17-acetyloxy-2-bromo-6-fluoro-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C26H30BrFO6 |
|---|---|
| Molecular Weight | 536.121 g/mol |
| LogP | 4.57 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.121 |
| Heavy Atoms | 34 |
| Complexity | 1075.2 |
Chemical Identifiers
| CAS Number | 57781-53-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4(C3=CC[C@@]2(C1(C(=O)COC(=O)C)OC(=O)C)C)C)Br)F |
Product Overview
KST-1A6336 (CAS 57781-53-0), with molecular formula C26H30BrFO6 and molecular weight 536.121 g/mol. IUPAC: [2-[(6R,8S,10R,13S,14S,16R)-17-acetyloxy-2-bromo-6-fluoro-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
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