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#19;1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(11S,11A-S)-10-(ALLYLOXYCARBONYL)-11-HYDROXY-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,
SpectraBase Compound ID K4wWrXiPLi4
InChI InChI=1S/2C39H44N4O12/c2*1-7-10-54-38(48)42-26-18-32(30(50-5)16-24(26)34(44)40-20-22(3)14-28(40)36(42)46)52-12-9-13-53-33-19-27-25(17-31(33)51-6)35(45)41-21-23(4)15-29(41)37(47)43(27)39(49)55-11-8-2/h2*7-8,16-19,28-29,36-37,46-47H,1-4,9-15,20-21H2,5-6H3/t2*28-,29-,36-,37-/m00/s1
InChIKey VYTQBWSQQSCHID-AQMKQNEGSA-N
Mol Weight 1521.6 g/mol
Molecular Formula C78H88N8O24
Exact Mass 1520.591146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1n5okotH5h
Name #19;1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(11S,11A-S)-10-(ALLYLOXYCARBONYL)-11-HYDROXY-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H88N8O24
InChI InChI=1S/2C39H44N4O12/c2*1-7-10-54-38(48)42-26-18-32(30(50-5)16-24(26)34(44)40-20-22(3)14-28(40)36(42)46)52-12-9-13-53-33-19-27-25(17-31(33)51-6)35(45)41-21-23(4)15-29(41)37(47)43(27)39(49)55-11-8-2/h2*7-8,16-19,28-29,36-37,46-47H,1-4,9-15,20-21H2,5-6H3/t2*28-,29-,36-,37-/m00/s1
InChIKey VYTQBWSQQSCHID-AQMKQNEGSA-N
Literature Reference Author S.J.GREGSON,P.W.HOWARD,J.A.HARTLEY,N.A.BROOKS,L.J.ADAMS,T.C. JENKINS,L.R.KELLAND,
Literature Reference Citation J.MED.CHEM.,44,737(2001)
Literature Reference DOI 10.1021/jm001064n
Molecular Weight 1521.596 g/mol
Sample ID 44353
Solvent CDCl3