Androsta-4,16-diene-3,6-dione
Basic information
- CAS
114611-55-1- Standard SMILES
C[C@@]12C=CC[C@H]1[C@@H]1CC(=O)C3=CC(=O)CC[C@]3(C)[C@H]1CC2- InChIKey
GOJSMZGIOCBZMX-UNTXSKPGSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Overview
structure given in first source
Names & identifiers
- Preferred name
- Androsta-4,16-diene-3,6-dione
- IUPAC
- (8S,9S,10R,13R,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
- English name
- androsta-4,16-diene-3,6-dione
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
Androsta-4,16-diene-3,6-dione114611-55-1DTXSID10921434RefChem:112633DTXCID201350331SCHEMBL5973725Androsta-4,16-diene-3,6-dione (9CI)
Database identifiers
- CAS
114611-55-1- PubChem CID
- 195096
- DTXSID
DTXSID10921434- Nikkaji
- J469.107E
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 584
Physicochemical properties
- Boiling point
- 417.8 · 417.8±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- HS Code
- 2937900090 · 2937900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2937900090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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