11alpha,17beta-Dihydroxyestr-4-en-3-one
Basic information
- CAS
2133-53-1- Standard SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
DZMDSUHTQULTAH-TTYRWSMDSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Names & identifiers
- Preferred name
- 11alpha,17beta-Dihydroxyestr-4-en-3-one
- IUPAC
- (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
NSC97192438-42-8SCHEMBL6241504DTXSID80278740NSC-9719A)-11,17-dihydroxyestr-4-en-3-one2133-53-111alpha,17beta-Dihydroxyestr-4-en-3-one
Database identifiers
- CAS
2133-53-1、2438-42-8- PubChem CID
- 222792
- DTXSID
DTXSID80278740
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…