6beta-Hydroxy-5beta-pregnane-3,20-dione
Basic information
- CAS
57967-98-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
UUPIPRLEJNRKGW-NODUQLCWSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- 6beta-Hydroxy-5beta-pregnane-3,20-dione
- IUPAC
- (5R,6R,8R,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
6beta-Hydroxy-5beta-pregnane-3,20-dione57967-98-3Pregnane-3,20-dione, 6-hydroxy-, (5beta,6beta)-6-hydroxypregnane-3,20-dioneDTXSID40973542
Database identifiers
- CAS
57967-98-3- PubChem CID
- 6453554
- DTXSID
DTXSID40973542
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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