| SpectraBase Compound ID | 3MwOcAniWgx |
|---|---|
| InChI | InChI=1S/C33H40N6O3S/c34-15-6-5-11-25-19-39(30(32(35)41)16-24-18-36-28-14-4-3-13-27(24)28)31(40)21-43-20-29(33(42)38-25)37-17-23-10-7-9-22-8-1-2-12-26(22)23/h1-4,7-10,12-14,18,25,29-30,36-37H,5-6,11,15-17,19-21,34H2,(H2,35,41)(H,38,42) |
| InChIKey | YXMVGMRAJKBLJM-UHFFFAOYSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C33H40N6O3S |
| Exact Mass | 600.28826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4k7QEPWAElg |
|---|---|
| Name | YXMVGMRAJKBLJM-UHFFFAOYSA-N |
| Compound Number | 1P-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40N6O3S |
| InChI | InChI=1S/C33H40N6O3S/c34-15-6-5-11-25-19-39(30(32(35)41)16-24-18-36-28-14-4-3-13-27(24)28)31(40)21-43-20-29(33(42)38-25)37-17-23-10-7-9-22-8-1-2-12-26(22)23/h1-4,7-10,12-14,18,25,29-30,36-37H,5-6,11,15-17,19-21,34H2,(H2,35,41)(H,38,42) |
| InChIKey | YXMVGMRAJKBLJM-UHFFFAOYSA-N |
| Literature Reference Author | J.BONDEBJERG,Z.XIANG,R.M.BAUZO,C.HASKELL-LUEVANO,M.MELDAL |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,11046(2002) |
| Literature Reference DOI | 10.1021/ja0123913 |
| Molecular Weight | 600.779 g/mol |
| Sample ID | 34727 |
| Solvent | DMSO-D6 |