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BENGAMIDE-I
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

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