Basic information
- CAS
54592-52-8- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](O)C[C@@]43C=O)[C@@H]1CCC2=O- InChIKey
PTGIVKYRXURANS-GZOOHYFNSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Overview
intermediate in estrone synthesis
Names & identifiers
- Preferred name
- 2-Beta-hydroxy-19-oxo-4-androstene-3,17-dione
- IUPAC
- (2S,8R,9S,10S,13S,14S)-2-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- English name
- 2-beta-hydroxy-19-oxo-4-androstene-3,17-dione
- Molecular formula
- C19H24O4
- Molecular weight
- 316.39
Names & synonyms
2-BHOAD54592-52-82-beta-hydroxy-19-oxo-4-androstene-3,17-dioneAndrost-4-en-19-al, 2-hydroxy-3,17-dioxo-, (2beta)-RefChem:855952 beta-hydroxy-19-oxoandrost-4-ene-3,17-dione2beta-Hydroxy-19-oxo-4-androstene-3,17-dione(2S,8R,9S,10S,13S,14S)-2-hydroxy-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde2beta-Hydroxy-19-oxoandrost-4-ene-3,17-dioneSCHEMBL3366201DTXSID209698472beta-hydroxy-19-oxo-androstenedione
Show more names
Androst-4-en-19-al, 2-hydroxy-3,17-dioxo-, (2β)- (9CI)
2-Hydroxy-3,17-dioxoandrost-4-en-19-alDB-2228342beta-Hydroxy-3,17-dioxoandrost-4-en-19-al
Database identifiers
- CAS
54592-52-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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