Basic information
- CAS
20155-05-9- Standard SMILES
CC12CCC3C(CCC4=CC(=O)CCC43CO)C1CCC2OC(=O)c1ccccc1- InChIKey
OSPYUOYEOOYDPK-UHFFFAOYSA-N- Molecular formula
- C26H32O4
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.2300595
Names & identifiers
- Preferred name
- 17beta,19-Dihydroxyandrost-4-en-3-one 17-benzoate
- IUPAC
- [10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoate
Names & synonyms
EINECS 243-549-320155-05-917beta,19-Dihydroxyandrost-4-en-3-one 17-benzoate[10-(hydroxymethyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] benzoateCDS1_000932Maybridge1_005684Oprea1_676895DivK1c_001972HMS557K08DTXSID30942202NRB 03670CCG-250190
Show more names
19-Hydroxy-3-oxoandrost-4-en-17-yl benzoate
Database identifiers
- CAS
20155-05-9- PubChem CID
- 89281
- DTXSID
DTXSID30942202- EC Number
- 243-549-3
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 735
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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