Kelnor
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C44H56O6 |
|---|---|
| Molecular Weight | 680.9 g/mol |
| Topological Polar Surface Area | 93.1 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 680.4077 |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 8075-78-3 |
|---|---|
| SMILES | CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | STZJJZZLAXIFHB-DIRPKPHOSA-N |
📖 Product Overview
Kelnor (CAS: 8075-78-3) is a chemical compound with molecular formula C44H56O6 and molecular weight 680.9 g/mol. Its IUPAC systematic name is [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
STZJJZZLAXIFHB-DIRPKPHOSA-N.
SMILES: CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.
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