Pregna-4, 17-hydroxy-, (17alpha)-
Basic information
- CAS
1235-98-9- Standard SMILES
C=C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
ILGPJZIKYMIGMU-SJFWLOONSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- Pregna-4, 17-hydroxy-, (17alpha)-
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-ethenyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
Pregna-4, 17-hydroxy-, (17.alpha.)-NSC8105SCHEMBL10713555NSC15466
Database identifiers
- CAS
1235-98-9- PubChem CID
- 222286
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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