| SpectraBase Compound ID | Ipue9ZGUkOm |
|---|---|
| InChI | InChI=1S/C23H31NO5S/c1-4-28-22(25)14-7-16(2)19-12-13-20-21(6-5-15-23(19,20)3)29-30-18-10-8-17(9-11-18)24(26)27/h7-11,14,16,19-21H,4-6,12-13,15H2,1-3H3/b14-7+/t16-,19-,20+,21+,23-/m1/s1 |
| InChIKey | MADUPASJBZEDTI-GLQGTYSDSA-N |
| Mol Weight | 433.56 g/mol |
| Molecular Formula | C23H31NO5S |
| Exact Mass | 433.192294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4g7kPXu0vN2 |
|---|---|
| Name | ETHYL-(22-E)-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXYCHOL-22-EN-24-ATE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31NO5S |
| InChI | InChI=1S/C23H31NO5S/c1-4-28-22(25)14-7-16(2)19-12-13-20-21(6-5-15-23(19,20)3)29-30-18-10-8-17(9-11-18)24(26)27/h7-11,14,16,19-21H,4-6,12-13,15H2,1-3H3/b14-7+/t16-,19-,20+,21+,23-/m1/s1 |
| InChIKey | MADUPASJBZEDTI-GLQGTYSDSA-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 | 433.563 g/mol |
| Sample ID | 39985 |
| Solvent | CDCl3 |