17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate
[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
Also Known As: Sid 769030|KST-1A7319|17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate|Pregn-2-en-20-yn-17-yl pyridine-3-carboxylate|(5|A,17xi)-pregn-2-en-20-yn-17-yl pyridine-3-carboxylate|17alpha-Ethynyl-(5a)-androst-2-ene-17beta-ol-17beta-nicotinate|Pregn-2-en-20-yn-17-ol, 3-pyridinecarboxylate, (5alpha,17alpha)-|(17xi)-5alpha-Pregn-2-en-20-yn-17-yl pyridine-3-carboxylate|[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate|17 alpha-ethynyl-(5a)-androst-2-ene-17 beta-ol-17 beta-nicotinate
| Molecular Formula | C27H33NO2 |
|---|---|
| Molecular Weight | 403.25113 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.25113 |
| Monoisotopic Mass | 403.25113 |
| Heavy Atoms | 30 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 6641-35-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)OC(=O)C4=CN=CC=C4)CC[C@@H]5[C@@]3(CC=CC5)C |
| InChIKey | NEQYIOAQPFJWQX-HNMCLFPFSA-N |
Product Overview
17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate (CAS 6641-35-6), with molecular formula C27H33NO2 and molecular weight 403.25113 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate.
17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »