| SpectraBase Compound ID | G4HeJa66Iux |
|---|---|
| InChI | InChI=1S/C21H26N2O3S/c1-15(5-4-14-22)18-11-12-19-20(6-3-13-21(18,19)2)26-27-17-9-7-16(8-10-17)23(24)25/h4-5,7-10,15,18-20H,3,6,11-13H2,1-2H3/b5-4+/t15-,18-,19+,20+,21-/m1/s1 |
| InChIKey | HJZQDCISAXKTNI-OYPNETAZSA-N |
| Mol Weight | 386.51 g/mol |
| Molecular Formula | C21H26N2O3S |
| Exact Mass | 386.166414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a5aVAlLVc6 |
|---|---|
| Name | (22-E)-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXY-24-NORCHOL-22-ENE-23-NITRILE |
| Compound Number | 3C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N2O3S |
| InChI | InChI=1S/C21H26N2O3S/c1-15(5-4-14-22)18-11-12-19-20(6-3-13-21(18,19)2)26-27-17-9-7-16(8-10-17)23(24)25/h4-5,7-10,15,18-20H,3,6,11-13H2,1-2H3/b5-4+/t15-,18-,19+,20+,21-/m1/s1 |
| InChIKey | HJZQDCISAXKTNI-OYPNETAZSA-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 | 386.509 g/mol |
| Sample ID | 39988 |
| Solvent | CDCl3 |