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Basic information
- CAS
18485-76-2- Standard SMILES
C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O- InChIKey
AEMFNILZOJDQLW-BGJMDTOESA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Names & identifiers
- Preferred name
- Androst-4-ene-3,17-dione, (13alpha)-
- IUPAC
- (8R,9S,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- (8R,9S,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro- 1H-cyclopenta[a]phenanthrene-3,17-dione
- Molecular formula
- C19H26O2
- Molecular weight
- 286.41
Names & synonyms
18485-76-2Androst-4-ene-3,17-dione, (13alpha)-UNII-4B6H7L86084B6H7L8608NSC 67578NSC-67578DTXSID8017166613alpha-Androst-4-ene-3,17-dione13.ALPHA.-ANDROST-4-ENE-3,17-DIONEANDROST-4-ENE-3,17-DIONE, (13.ALPHA.)-RefChem:112618DTXCID5094157
Show more names
13α-Androst-4-ene-3,17-dioneAndrost-4-ene-3,17-dione, (13α)-(8R,9S,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro- 1H-cyclopenta[a]phenanthrene-3,17-dione
(8R,9S,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione13?-Androst-4-ene-3,17-dioneNSC67578(13alpha)-androst-4-ene-3,17-dione(8R,9S,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro- 1H-cyclopenta[a]phenanthrene-Q27259371
Database identifiers
- CAS
18485-76-2- PubChem CID
- 249335
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 431.4 · 431.4±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- FDA UNII
- 4 B6H7L8608 · 4B6H7L8608
Chemistry & industry
Applications
Uses13α-Androst-4-ene-3,17-dione is used in preparation of 4-Chloro-17β-hydroxymethyl-17α-methyl-18-norandrosta-4,13-dien-3α-ol.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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