AC1Q5WXT
[(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: KST-1A4428|(2|A,11|A)-9-fluoro-11-hydroxy-2-methyl-3,20-dioxopregn-4-en-17-yl acetate|(17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6|[(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C24H33FO5 |
|---|---|
| Molecular Weight | 420.2312 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.2312 |
| Monoisotopic Mass | 420.2312 |
| Heavy Atoms | 30 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 3828-36-2 |
|---|---|
| SMILES | C[C@@H]1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C)OC(=O)C)C)O)F)C |
| InChIKey | RDBVQCOSMYAJQC-ZFEPTNOJSA-N |
Product Overview
AC1Q5WXT (CAS 3828-36-2), with molecular formula C24H33FO5 and molecular weight 420.2312 g/mol. IUPAC: [(2R,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
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