5-alpha-Pregn-2-en-20-yn-17-beta-ol
(5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 17alpha-Dihydroquilenin|NIOSH/TU5568000|KST-1A4711|5-alpha-Pregn-2-en-20-yn-17-beta-ol|(5|A,17|A)-pregn-2-en-20-yn-17-ol|17-Ethynyl-5alpha-androst-2-en-17beta-ol|5alpha,17alpha-Pregn-2-en-20-yn-17-ol|17-alpha-Ethynyl-5-alpha-androst-2-en-17-beta-ol|(5I+/-,17I+/-)-Pregn-2-en-20-yn-17-ol|(5S,8S,9S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,4,5,6|(1R,3aS,3bR,5aS,9aS,9bS,11aS)-1-ethynyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol|(5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol|(5S,8S,9S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
| Molecular Formula | C21H30O |
|---|---|
| Molecular Weight | 298.22968 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.22968 |
| Monoisotopic Mass | 298.22968 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 3642-95-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC=CC4)C |
| InChIKey | CYJOYLQIRRWROZ-OGNRNXDYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-alpha-Pregn-2-en-20-yn-17-beta-ol (CAS 3642-95-3), with molecular formula C21H30O and molecular weight 298.22968 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol.
5-alpha-Pregn-2-en-20-yn-17-beta-ol is a custom synthesis product. We offer services from milligram to kilogram scale.
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