Pregna-1,4-diene-3,20-dione, 21-[[6-(acetylamino)-1-oxohexyl]oxy]-9-fluoro-11,17-dihydroxy-16-methyl-, (11I(2),16I+/-)-
Basic information
- CAS
24421-42-9- Standard SMILES
CC(=O)NCCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
VVCDRBHAAAIKFE-LRUBQGFKSA-N- Molecular formula
- C30H42FNO7
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.29453084
Names & identifiers
- Preferred name
- Pregna-1,4-diene-3,20-dione, 21-[[6-(acetylamino)-1-oxohexyl]oxy]-9-fluoro-11,17-dihydroxy-16-methyl-, (11I(2),16I+/-)-
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-acetamidohexanoate
Names & synonyms
DTXSID50110720224421-42-9Pregna-1,4-diene-3,20-dione, 21-[[6-(acetylamino)-1-oxohexyl]oxy]-9-fluoro-11,17-dihydroxy-16-methyl-, (11I(2),16I+/-)-
Database identifiers
- CAS
24421-42-9- PubChem CID
- 165367294
- DTXSID
DTXSID501107202
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
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Compound notes
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