11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
Basic information
- Standard SMILES
CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C- InChIKey
PHEOVVDXTQVHAZ-UHFFFAOYSA-N- Molecular formula
- C26H36O6
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.25118886
Names & identifiers
- Preferred name
- 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate
- IUPAC
- [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate
Names & synonyms
11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl pivalate11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoateDTXSID70871825AKOS0244196382a{1,10aDihydroxya9a,11aadimethyla7aoxoa1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aHacyclopenta[a]phenanthrena1ayl}a2aoxoethyl 2,2adimethylpropanoate
Database identifiers
- PubChem CID
- 14202
- DTXSID
DTXSID70871825
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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