![17A-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YL]-THIOMETHYL-ANDROSTA-5,7-DIEN-3B,17B-DIOL](/api/spectrum/5vwAycMUeMB/structure.png?h=300&w=458 "17A-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YL]-THIOMETHYL-ANDROSTA-5,7-DIEN-3B,17B-DIOL")
| SpectraBase Compound ID | 60v2DNQaMTD |
|---|---|
| InChI | InChI=1S/C27H34N4O2S/c1-25-10-5-19(32)15-18(25)3-4-20-21(25)6-11-26(2)22(20)7-12-27(26,33)16-34-24-29-23(30-31-24)17-8-13-28-14-9-17/h3-4,8-9,13-14,19,21-22,32-33H,5-7,10-12,15-16H2,1-2H3,(H,29,30,31)/t19-,21-,22-,25-,26-,27+/m0/s1 |
| InChIKey | ALNARPQBXWCTBE-RGINJKEISA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C27H34N4O2S |
| Exact Mass | 478.240248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vwAycMUeMB |
|---|---|
| Name | 17A-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YL]-THIOMETHYL-ANDROSTA-5,7-DIEN-3B,17B-DIOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34N4O2S |
| InChI | InChI=1S/C27H34N4O2S/c1-25-10-5-19(32)15-18(25)3-4-20-21(25)6-11-26(2)22(20)7-12-27(26,33)16-34-24-29-23(30-31-24)17-8-13-28-14-9-17/h3-4,8-9,13-14,19,21-22,32-33H,5-7,10-12,15-16H2,1-2H3,(H,29,30,31)/t19-,21-,22-,25-,26-,27+/m0/s1 |
| InChIKey | ALNARPQBXWCTBE-RGINJKEISA-N |
| Literature Reference Author | N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER |
| Literature Reference Citation | ORG.LETTERS,7,2535(2005) |
| Literature Reference DOI | 10.1021/ol0504345 |
| Molecular Weight | 478.653 g/mol |
| Sample ID | 42954 |
| Solvent | DMSO-D6 |