Basic information
- CAS
17000-57-6- Standard SMILES
C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@](C)(O)[C@@]1(C)C[C@@H]2O- InChIKey
SUKMOMANEUHOTO-MVINOYJNSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- A)-11,17-dihydroxy-7,17-dimethylandrost-4-en-3-one
- IUPAC
- (7R,8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
NSC90614SCHEMBL4924871DTXSID30293549NSC-9061417000-57-6A)-11,17-dihydroxy-7,17-dimethylandrost-4-en-3-one11beta,17beta-Dihydroxy-7alpha,17alpha-dimethylandrost-4-en-3-one
Database identifiers
- CAS
17000-57-6、1707-51-3- PubChem CID
- 259889
- DTXSID
DTXSID30293549
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…