Einecs 218-369-3
[2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Also Known As: EINECS 218-369-3|KST-1A2767|(6|A,9|A,11|A,16|A)-6-fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate|2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl 2,2-dimethylpropanoate|6-Fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate|6alpha-Fluoro-17-hydroxy-16alpha-methyl-3,20-dioxo-9beta,11beta-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate|9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate|Pivalic acid 9beta,11beta-epoxy-6alpha-fluoro-17-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl ester
| Molecular Formula | C27H35FO6 |
|---|---|
| Molecular Weight | 474.24176 g/mol |
| LogP | 3.51 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.24176 |
| Heavy Atoms | 34 |
| Complexity | 1040.2 |
Chemical Identifiers
| CAS Number | 2135-16-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)C)F |
Product Overview
Einecs 218-369-3 (CAS 2135-16-2), with molecular formula C27H35FO6 and molecular weight 474.24176 g/mol. IUPAC: [2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate.
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