Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((7-methoxy-1,7-dioxoheptyl)oxy)-, (11beta)-
Basic information
- CAS
114611-36-8- Standard SMILES
COC(=O)CCCCCC(=O)OCC(=O)C12CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC31O2- InChIKey
CVUYUYYPZDAVKE-UHFFFAOYSA-N- Molecular formula
- C28H38O8
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.25666817
Names & identifiers
- Preferred name
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((7-methoxy-1,7-dioxoheptyl)oxy)-, (11beta)-
- IUPAC
- 7-O-[2-(9-hydroxy-11-methyl-14-oxo-6-oxapentacyclo[8.8.0.02,7.05,7.011,16]octadec-15-en-5-yl)-2-oxoethyl] 1-O-methyl heptanedioate
Names & synonyms
Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((7-methoxy-1,7-dioxoheptyl)oxy)-, (11beta)-
Database identifiers
- CAS
114611-36-8- PubChem CID
- 86143
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 986
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…