| SpectraBase Compound ID | YT5II3HED1 |
|---|---|
| InChI | InChI=1S/C31H56N2O8/c1-21(2)14-12-10-8-6-7-9-11-13-15-26(35)41-23-17-18-24(30(38)32-20-23)33-31(39)29(40-5)28(37)27(36)25(34)19-16-22(3)4/h16,19,21-25,27-29,34,36-37H,6-15,17-18,20H2,1-5H3,(H,32,38)(H,33,39)/b19-16+/t23-,24-,25+,27-,28+,29+/m0/s1 |
| InChIKey | MAFXVULEXBWULF-POFAQTEGSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C31H56N2O8 |
| Exact Mass | 584.403667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqGXHuibDLG |
|---|---|
| Name | BENGAMIDE-N |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H56N2O8 |
| InChI | InChI=1S/C31H56N2O8/c1-21(2)14-12-10-8-6-7-9-11-13-15-26(35)41-23-17-18-24(30(38)32-20-23)33-31(39)29(40-5)28(37)27(36)25(34)19-16-22(3)4/h16,19,21-25,27-29,34,36-37H,6-15,17-18,20H2,1-5H3,(H,32,38)(H,33,39)/b19-16+/t23-,24-,25+,27-,28+,29+/m0/s1 |
| InChIKey | MAFXVULEXBWULF-POFAQTEGSA-N |
| Literature Reference Author | Z.THALE,F.R.KINDER,K.W.BAIR,J.BONTEMPO,A.M.CZUCHTA,R.W.VERSA CE,P.E.PHILLIPS,M.L. |
| Literature Reference Citation | J.ORG.CHEM.,66,1733(2001) |
| Literature Reference DOI | 10.1021/jo001380+ |
| Molecular Weight | 584.794 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26217 |