| SpectraBase Compound ID | 1Tg5BK0alxP |
|---|---|
| InChI | InChI=1S/C58H96N6O8/c1-3-5-7-9-11-13-15-17-27-41-53(65)63-51(39-29-33-45-61-57(69)71-47-49-35-23-21-24-36-49)55(67)59-43-31-19-20-32-44-60-56(68)52(64-54(66)42-28-18-16-14-12-10-8-6-4-2)40-30-34-46-62-58(70)72-48-50-37-25-22-26-38-50/h21-26,35-38,51-52H,3-20,27-34,39-48H2,1-2H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,65)(H,64,66) |
| InChIKey | CMVHYNWWNMEQEQ-UHFFFAOYSA-N |
| Mol Weight | 1005.4 g/mol |
| Molecular Formula | C58H96N6O8 |
| Exact Mass | 1004.728964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HH9kFII0vdr |
|---|---|
| Name | CMVHYNWWNMEQEQ-UHFFFAOYSA-N |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H96N6O8 |
| InChI | InChI=1S/C58H96N6O8/c1-3-5-7-9-11-13-15-17-27-41-53(65)63-51(39-29-33-45-61-57(69)71-47-49-35-23-21-24-36-49)55(67)59-43-31-19-20-32-44-60-56(68)52(64-54(66)42-28-18-16-14-12-10-8-6-4-2)40-30-34-46-62-58(70)72-48-50-37-25-22-26-38-50/h21-26,35-38,51-52H,3-20,27-34,39-48H2,1-2H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,65)(H,64,66) |
| InChIKey | CMVHYNWWNMEQEQ-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 | 1005.436 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ48021 |