[(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
| Molecular Formula | C31H41NO3 |
|---|---|
| Molecular Weight | 475.7 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 58.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.30865 |
| Heavy Atoms | 35 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 26698-66-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=NO)CCC37 |
| InChIKey | GWXUKFSMEODGEU-MNUJUNGVSA-N |
📖 Product Overview
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate (CAS: 26698-66-8) is a chemical compound with molecular formula C31H41NO3 and molecular weight 475.7 g/mol. Its IUPAC systematic name is [(8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate.
GWXUKFSMEODGEU-MNUJUNGVSA-N.
SMILES: CC12CCC3C(C1CCC2(C#C)OC(=O)C45CC6CC(C4)CC(C6)C5)CCC7=CC(=NO)CCC37.
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