17-Hydroxy-6-methylpregn-4-ene-3,20-dione
Basic information
- Standard SMILES
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C- InChIKey
FRQMUZJSZHZSGN-UHFFFAOYSA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- 17-Hydroxy-6-methylpregn-4-ene-3,20-dione
- IUPAC
- 17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
DTXSID3085944717-Hydroxy-6-methylpregn-4-ene-3,20-dioneRefChem:1057620DTXCID70209563MLS002639162NCGC00183122-0117alpha-Hydroxy-6alpha-methyl-4-pregnene-3,20-dionePregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6.alpha.)-SCHEMBL15445000FRQMUZJSZHZSGN-UHFFFAOYSA-NHMS5081F12s3635
Show more names
17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneSMR001548609
Database identifiers
- PubChem CID
- 541103
- DTXSID
DTXSID30859447
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 664
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
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Compound notes
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