| SpectraBase Compound ID | 8MPZImM40kY |
|---|---|
| InChI | InChI=1S/C59H99N7O8/c1-3-5-7-9-11-13-15-17-25-40-54(67)61-44-29-27-38-52(65-58(71)73-48-50-34-21-19-22-35-50)56(69)63-46-32-31-42-60-43-33-47-64-57(70)53(66-59(72)74-49-51-36-23-20-24-37-51)39-28-30-45-62-55(68)41-26-18-16-14-12-10-8-6-4-2/h19-24,34-37,52-53,60H,3-18,25-33,38-49H2,1-2H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72) |
| InChIKey | LGNSUMHYJPDGIW-UHFFFAOYSA-N |
| Mol Weight | 1034.5 g/mol |
| Molecular Formula | C59H99N7O8 |
| Exact Mass | 1033.755513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vHzXAA0wEL |
|---|---|
| Name | LGNSUMHYJPDGIW-UHFFFAOYSA-N |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H99N7O8 |
| InChI | InChI=1S/C59H99N7O8/c1-3-5-7-9-11-13-15-17-25-40-54(67)61-44-29-27-38-52(65-58(71)73-48-50-34-21-19-22-35-50)56(69)63-46-32-31-42-60-43-33-47-64-57(70)53(66-59(72)74-49-51-36-23-20-24-37-51)39-28-30-45-62-55(68)41-26-18-16-14-12-10-8-6-4-2/h19-24,34-37,52-53,60H,3-18,25-33,38-49H2,1-2H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72) |
| InChIKey | LGNSUMHYJPDGIW-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 | 1034.477 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ48016 |