| SpectraBase Compound ID | 86YkWXiopRj |
|---|---|
| InChI | InChI=1S/C33H55N7O8/c1-3-4-5-6-7-8-9-10-14-22-29(41)37-27(21-17-24-36-32(34)39-40(45)46)30(42)35-23-16-15-20-28(31(43)47-2)38-33(44)48-25-26-18-12-11-13-19-26/h11-13,18-19,27-28H,3-10,14-17,20-25H2,1-2H3,(H,35,42)(H,37,41)(H,38,44)(H3,34,36,39) |
| InChIKey | WZUPFUJAVKNMDS-UHFFFAOYSA-N |
| Mol Weight | 677.8 g/mol |
| Molecular Formula | C33H55N7O8 |
| Exact Mass | 677.411212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ak3t4F9sYIT |
|---|---|
| Name | WZUPFUJAVKNMDS-UHFFFAOYSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H55N7O8 |
| InChI | InChI=1S/C33H55N7O8/c1-3-4-5-6-7-8-9-10-14-22-29(41)37-27(21-17-24-36-32(34)39-40(45)46)30(42)35-23-16-15-20-28(31(43)47-2)38-33(44)48-25-26-18-12-11-13-19-26/h11-13,18-19,27-28H,3-10,14-17,20-25H2,1-2H3,(H,35,42)(H,37,41)(H,38,44)(H3,34,36,39) |
| InChIKey | WZUPFUJAVKNMDS-UHFFFAOYSA-N |
| Literature Reference Author | A.COLOMER,A.PINAZO,M.A.MANRESA,M.P.VINARDELL,M.MITJANS,M.R.I NFANTE,L.PEREZ |
| Literature Reference Citation | J.MED.CHEM.,54,989(2011) |
| Literature Reference DOI | 10.1021/jm101315k |
| Molecular Weight | 677.842 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ48009 |