11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate
Basic information
- CAS
23074-99-9- Standard SMILES
CCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O[N+](=O)[O-])CC21C- InChIKey
AKRDEILXKSRTAT-UHFFFAOYSA-N- Molecular formula
- C24H31NO7
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.21005233
Names & identifiers
- Preferred name
- 11-(Nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoate
- IUPAC
- (17-acetyl-10,13-dimethyl-11-nitrooxy-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate
Names & synonyms
23074-99-911-(nitrooxy)-3,20-dioxopregna-1,4-dien-17-yl propanoateEINECS 245-416-5DTXSID7094575211beta,17-Dihydroxypregna-1,4-diene-3,20-dione 11-nitrate 17-propionate
Database identifiers
- CAS
23074-99-9- PubChem CID
- 90879
- DTXSID
DTXSID70945752- EC Number
- 245-416-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 933
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…