EINECS 217-582-9
[2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 217-582-9|KST-1A2412|6beta-Fluoro-5alpha,17,21-trihydroxy-16alpha-methylpregnane-3,20-dione 21-acetate|[2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate|(5|A,6|A,16|A,17xi)-6-fluoro-5,17-dihydroxy-16-methyl-3,20-dioxopregnan-21-yl acetate|6-Fluoro-5,17-dihydroxy-16-methyl-3,20-dioxopregnan-21-yl acetate|(17xi)-6beta-Fluoro-5,17-dihydroxy-16alpha-methyl-3,20-dioxo-5alpha-pregnan-21-yl acetate|A-fluoro-5|A,17,21-trihydroxy-16|A-methylpregnane-3,20-dione 21-acetate|Acetic acid 2-((5R,6R,10R,13S,16R,17R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester
| Molecular Formula | C24H35FO6 |
|---|---|
| Molecular Weight | 438.24176 g/mol |
| LogP | 2.77 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.24176 |
| Heavy Atoms | 31 |
| Complexity | 813.9 |
Chemical Identifiers
| CAS Number | 1893-91-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(CC(=O)CC[C@@]4([C@H]3CC[C@@]2(C1(C(=O)COC(=O)C)O)C)C)O)F |
Product Overview
EINECS 217-582-9 (CAS 1893-91-0), with molecular formula C24H35FO6 and molecular weight 438.24176 g/mol. IUPAC: [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
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