| SpectraBase Compound ID | AFfBx5yAThU |
|---|---|
| InChI | InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-17-28(37)43-25-19-20-26(33(41)35(5)22-25)34-32(40)31(42-6)30(39)29(38)27(36)21-18-24(3)4/h18,21,23-27,29-31,36,38-39H,7-17,19-20,22H2,1-6H3,(H,34,40)/b21-18+/t25-,26-,27+,29-,30+,31+/m0/s1 |
| InChIKey | RQRHVQYJHQBVNL-HJPYSUCNSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C33H60N2O8 |
| Exact Mass | 612.434967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMhxl67C3KD |
|---|---|
| Name | BENGAMIDE-M |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H60N2O8 |
| InChI | InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-17-28(37)43-25-19-20-26(33(41)35(5)22-25)34-32(40)31(42-6)30(39)29(38)27(36)21-18-24(3)4/h18,21,23-27,29-31,36,38-39H,7-17,19-20,22H2,1-6H3,(H,34,40)/b21-18+/t25-,26-,27+,29-,30+,31+/m0/s1 |
| InChIKey | RQRHVQYJHQBVNL-HJPYSUCNSA-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 | 612.848 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26216 |