17beta-Bromoacetoxy-19-nortestosterone
Basic information
- CAS
55648-44-7- Standard SMILES
CC12CCC3C4CCC(=O)C=C4CCC3C1CC[C@@H]2OC(=O)CBr- InChIKey
LUHNMRYTDWWUNV-RJFAQORQSA-N- Molecular formula
- C20H27BrO3
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.11436
Names & identifiers
- Preferred name
- 17beta-Bromoacetoxy-19-nortestosterone
- IUPAC
- [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
- English name
- 17 beta-bromoacetoxy-19-nortestosterone
- Molecular formula
- C20H27BrO3
- Molecular weight
- 395.33
Names & synonyms
17beta-Bromoacetoxy-19-nortestosterone55648-44-717-beta-BA-19-NT17-beta-Bromoacetoxy-19-nortestosteroneEstr-4-en-3-one-17-beta-ol bromoacetate17-beta-Hydroxyestr-4-en-3-one bromoacetate[(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-bromoacetateESTR-4-EN-3-ONE, 17-beta-HYDROXY-, BROMOACETATEEstr-4-en-3-one, 17-((bromoacetyl)oxy)-, (17-beta)-DTXSID809709943-Oxoestr-4-en-17-yl bromoacetate3-Oxoestr-4-en-17alpha-yl bromoacetate
Show more names
17 beta-bromoacetoxy-19-nortestosteroneEstr-4-en-3-one, 17-[(bromoacetyl)oxy]-, (17β)- (9CI)
Database identifiers
- CAS
55648-44-7- PubChem CID
- 41498
- DTXSID
DTXSID80970994
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 488 · 488.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
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Compound notes
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