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#31;(1S*,7S*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-4-EN-8-YL]-METHYL-2-(3-METHYL-2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-BEN
SpectraBase Compound ID 2SXRDerPSS
InChI InChI=1S/C35H40N2O5/c1-26-22-30(38)37(31(26)39)29-16-7-6-15-28(29)32(40)42-25-34-19-11-18-33(17-8-3-9-20-35(33,34)41)23-36(24-34)21-10-14-27-12-4-2-5-13-27/h2-7,9,12-13,15-16,22,41H,8,10-11,14,17-21,23-25H2,1H3/t33-,34+,35-/m1/s1
InChIKey WEERNWIEBNXYTR-GVBYMILNSA-N
Mol Weight 568.7 g/mol
Molecular Formula C35H40N2O5
Exact Mass 568.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G61XNcII19y
Name #31;(1S*,7S*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADEC-4-EN-8-YL]-METHYL-2-(3-METHYL-2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-BEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40N2O5
InChI InChI=1S/C35H40N2O5/c1-26-22-30(38)37(31(26)39)29-16-7-6-15-28(29)32(40)42-25-34-19-11-18-33(17-8-3-9-20-35(33,34)41)23-36(24-34)21-10-14-27-12-4-2-5-13-27/h2-7,9,12-13,15-16,22,41H,8,10-11,14,17-21,23-25H2,1H3/t33-,34+,35-/m1/s1
InChIKey WEERNWIEBNXYTR-GVBYMILNSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 568.713 g/mol
Sample ID 31819
Solvent CDCl3