Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-17-[(methoxycarbonyl)oxy]-16-methyl-21-(1-oxopropoxy)-, (11I(2),16I+/-)-
Basic information
- CAS
70283-56-6- Standard SMILES
CCC(=O)OCC(=O)[C@@]1(OC(=O)OC)[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
IBGOROXNIWHOFB-JHUFMRCFSA-N- Molecular formula
- C27H35FO8
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.23159623
Names & identifiers
- Preferred name
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-17-[(methoxycarbonyl)oxy]-16-methyl-21-(1-oxopropoxy)-, (11I(2),16I+/-)-
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-methoxycarbonyloxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Names & synonyms
DTXSID20110665570283-56-6Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-17-[(methoxycarbonyl)oxy]-16-methyl-21-(1-oxopropoxy)-, (11I(2),16I+/-)-
Database identifiers
- CAS
70283-56-6- PubChem CID
- 165367244
- DTXSID
DTXSID201106655
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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