17-Hydroxypregna-1,4-diene-3,20-dione
Basic information
- CAS
2477-61-4- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
JQVUIHNKYYECGH-CEGNMAFCSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384475
Names & identifiers
- Preferred name
- 17-Hydroxypregna-1,4-diene-3,20-dione
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- English name
- Pregna-1,4-diene-3,20-dione,17-hydroxy-
- Molecular formula
- C21H28O3
- Molecular weight
- 328.45
Names & synonyms
17-Hydroxypregna-1,4-diene-3,20-dione2477-61-4Pregna-1,4-diene-3,20-dione, 17-hydroxy-NSC-9786GR8RA8HG6RDTXSID60947684RefChem:1057625DTXCID401375941NSC 9786Prednisolone Impurity 39BRN 2223189delta(sup 1,4)-Pregnadiene-17-alpha-ol-3,20-dione
Show more names
Cyproterone Impurity 3Cyproterone Impurity 10Hydroxyprogesterone Impurity 117α-hydroxy-pregna-1,4-diene-3,20-dione1,2-dehydro-17 alpha-hydroxyprogesterone
4-08-00-02420 (Beilstein Handbook Reference)NSC9786Cyproterone Impurity 4SCHEMBL10865415JQVUIHNKYYECGH-CEGNMAFCSA-N(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-onePregna-1,4-diene-3,20-dione,17-hydroxy-1,4-Pregnadiene-17-.alpha.-ol-3,20-dione
Database identifiers
- CAS
2477-61-4- PubChem CID
- 200664
- DTXSID
DTXSID60947684- UNII
- GR8RA8HG6R
- Nikkaji
- J69.119D
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 675
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
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Compound notes
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