| SpectraBase Compound ID | F4dd7Tsx0SV |
|---|---|
| InChI | InChI=1S/C26H31NO5S2/c1-19(16-18-34(30,31)22-7-4-3-5-8-22)23-14-15-24-25(9-6-17-26(23,24)2)32-33-21-12-10-20(11-13-21)27(28)29/h3-5,7-8,10-13,16,18-19,23-25H,6,9,14-15,17H2,1-2H3/b18-16+/t19-,23-,24+,25+,26-/m1/s1 |
| InChIKey | JGDIDDVBSAQWBI-NVUFIIBUSA-N |
| Mol Weight | 501.66 g/mol |
| Molecular Formula | C26H31NO5S2 |
| Exact Mass | 501.164365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQWXgsoJGXI |
|---|---|
| Name | (22-E)-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXY-24-NORCHOL-22-ENE-23-PHENYLSULFONE |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H31NO5S2 |
| InChI | InChI=1S/C26H31NO5S2/c1-19(16-18-34(30,31)22-7-4-3-5-8-22)23-14-15-24-25(9-6-17-26(23,24)2)32-33-21-12-10-20(11-13-21)27(28)29/h3-5,7-8,10-13,16,18-19,23-25H,6,9,14-15,17H2,1-2H3/b18-16+/t19-,23-,24+,25+,26-/m1/s1 |
| InChIKey | JGDIDDVBSAQWBI-NVUFIIBUSA-N |
| Literature Reference Author | E.MOMAN,D.NICOLETTI,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,8,1249(2006) |
| Literature Reference DOI | 10.1021/ol060231w |
| Molecular Weight | 501.656 g/mol |
| Sample ID | 39991 |
| Solvent | CDCl3 |