9alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Basic information
- CAS
82182-55-6- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O- InChIKey
JCEUDJXAQHPZGL-PLOWYNNNSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Overview
9alpha-hydroxyandrosta-1,4-diene-3,17-dione is a steroid that consists of androstane having double bonds at positions 1 and 4, two keto groups at positions 3 and 17 and a hydroxy group at position 9. It is a 17-oxo steroid, a 9-hydroxy steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of an androstane.
Names & identifiers
- Preferred name
- 9alpha-Hydroxyandrosta-1,4-diene-3,17-dione
- IUPAC
- (8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
- English name
- (8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octa hydrocyclopenta[a]phenanthrene-3,17-dione
- Molecular formula
- C19H24O3
- Molecular weight
- 300.39206
Names & synonyms
9alpha-Hydroxyandrosta-1,4-diene-3,17-dione9alpha-hydroxy-1,4-androstadiene-3,17-dioneCHEBI:63641RefChem:10822082182-55-69-hydroxyandrosta-1,4-diene-3,17-dione(8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dioneProgesterone Impurity N47SCHEMBL3486928DTXSID901002529NSC49005NSC-49005
Show more names
Progesterone Impurity 51Impurities 4 in exemestane(8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octa hydrocyclopenta[a]phenanthrene-3,17-dione
Q27132700(8S,9R,10S,13S,14S)-9-hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 631
Chemistry & industry
Applications
Uses9-Hydroxyandrosta-1,4-diene-3,17-dione is a steroid.
Additional notes
DefinitionChEBI: 9alpha-hydroxyandrosta-1,4-diene-3,17-dione is a steroid that consists of androstane having double bonds at positions 1 and 4, two keto groups at positions 3 and 17 and a hydroxy group at position 9. It is a 17-oxo steroid, a 9-hydroxy steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of an androstane.
Related reactions
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Compound notes
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