Pregn-5-en-20-yne-3,17-diol
17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: pregn-5-en-20-yne-3,17-diol|ETHYNYL-ANDROSTENEDIOL|EINECS 222-759-9|Androst-5-ene-3.beta., 17-ethynyl-|17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol|Pregn-5-en-20-yne-3, (3.beta.,17.alpha.)-|17.alpha.-Pregn-5-en-20-yne-3.beta.,17.beta.-diol|Pregn-5-en-20-yne-3,17-diol, (3.beta.,17.alpha.)-|1-ethynyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol|17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol|(3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22458 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Monoisotopic Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 40784-95-0 |
|---|---|
| SMILES | CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C#C)O)C)O |
| InChIKey | VGJUOWGYQZYCII-UHFFFAOYSA-N |
Product Overview
Pregn-5-en-20-yne-3,17-diol (CAS 40784-95-0), with molecular formula C21H30O2 and molecular weight 314.22458 g/mol. IUPAC: 17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.