Cyanoketone
(2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
| Molecular Formula | C23H33NO2 |
|---|---|
| Molecular Weight | 355.5 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.25113 |
| Heavy Atoms | 26 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 4248-66-2 |
|---|---|
| SMILES | CC1(C2=CCC3C4CCC(C4(CCC3C2(CC(C1=O)C#N)C)C)(C)O)C |
| InChIKey | GTBRTGPZZALPNS-MXHVRSFHSA-N |
📖 Product Overview
Cyanoketone (CAS: 4248-66-2) is a chemical compound with molecular formula C23H33NO2 and molecular weight 355.5 g/mol. Its IUPAC systematic name is (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile.
GTBRTGPZZALPNS-MXHVRSFHSA-N.
SMILES: CC1(C2=CCC3C4CCC(C4(CCC3C2(CC(C1=O)C#N)C)C)(C)O)C.
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