CGP 2616
(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol;(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 | C41H54O3 |
|---|---|
| Molecular Weight | 594.9 g/mol |
| Topological Polar Surface Area | 60.7 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.4073 |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 8064-76-4 |
|---|---|
| SMILES | CC12CCCC=C1CCC3C2CCC4(C3CCC4(C#C)O)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | RPGGYYVWJTWVMS-ZPSVQYCPSA-N |
📖 Product Overview
CGP 2616 (CAS: 8064-76-4) is a chemical compound with molecular formula C41H54O3 and molecular weight 594.9 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol;(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.
RPGGYYVWJTWVMS-ZPSVQYCPSA-N.
SMILES: CC12CCCC=C1CCC3C2CCC4(C3CCC4(C#C)O)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.
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