| SpectraBase Compound ID | 1lv1MmRRiq8 |
|---|---|
| InChI | InChI=1S/C23H29NO5S/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/h8-11,16,19-21H,4-6,12-13,15H2,1-3H3/t16-,19-,20+,21+,23-/m1/s1 |
| InChIKey | DDPIDKVATWGFHF-KLPRIYPRSA-N |
| Mol Weight | 431.55 g/mol |
| Molecular Formula | C23H29NO5S |
| Exact Mass | 431.176644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2h2JOcsrUg |
|---|---|
| Name | ETHYL-DE-A,B-8-(4-NITROPHENYLSULFENYL)-OXYCHOL-22-YN-24-ATE |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H29NO5S |
| InChI | InChI=1S/C23H29NO5S/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/h8-11,16,19-21H,4-6,12-13,15H2,1-3H3/t16-,19-,20+,21+,23-/m1/s1 |
| InChIKey | DDPIDKVATWGFHF-KLPRIYPRSA-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 | 431.547 g/mol |
| Sample ID | 39994 |
| Solvent | CDCl3 |