Basic information
- CAS
24320-15-8- Standard SMILES
CC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3(Br)C(O)CC21C- InChIKey
BSBKWSKMSCDDNJ-UHFFFAOYSA-N- Molecular formula
- C23H31BrO5
- Average molar mass
- 467.4 g/mol
- Monoisotopic mass
- 466.13549
Names & identifiers
- Preferred name
- 9-Bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
- IUPAC
- (17-acetyl-9-bromo-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Names & synonyms
24320-15-89-bromo-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetateDTXSID10947154
Database identifiers
- CAS
24320-15-8- PubChem CID
- 91164
- DTXSID
DTXSID10947154- EC Number
- 246-160-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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