Nicocortonide
[2-[(1R,2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-prop-1-enyl-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] pyridine-4-carboxylate
Also Known As: Nicocortonide|11beta,14,17,21-Tetrahydroxypregn-4-ene-3,20-dione cyclic 14,17-acetal with crotonaldehyde, 21-isonicotinate|Pregn-4-ene-3,20-dione,14,17-[2-butenylidenebis(oxy)]-11-hydroxy-21-[(4-pyridinylcarbonyl)oxy]-, (11b)- (9CI)
| Molecular Formula | C31H37NO7 |
|---|---|
| Molecular Weight | 535.257 g/mol |
| LogP | 4.12 |
| Topological Polar Surface Area | 112.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.257 |
| Heavy Atoms | 39 |
| Complexity | 1258.6 |
Chemical Identifiers
| CAS Number | 65415-41-0 |
|---|---|
| SMILES | CC=CC1O[C@@]23CC[C@]([C@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)(O1)C(=O)COC(=O)C6=CC=NC=C6 |
Product Overview
Nicocortonide (CAS 65415-41-0), with molecular formula C31H37NO7 and molecular weight 535.257 g/mol. IUPAC: [2-[(1R,2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-prop-1-enyl-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] pyridine-4-carboxylate.
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