| SpectraBase Compound ID | Kk2UudE5N2q |
|---|---|
| InChI | InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1 |
| InChIKey | NKASPYGDXVCCTA-HADZOMMTSA-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 | FFMtEQq083D |
|---|---|
| Name | BENGAMIDE-A |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H56N2O8 |
| InChI | InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1 |
| InChIKey | NKASPYGDXVCCTA-HADZOMMTSA-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 | UWMS26214 |