John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KU1o5WHtZN9 SpectraBase Spectrum ID=1l5sS8KuUJq

(accessed ).
N-FORMYLCATHARININE;ISOMER_1
SpectraBase Compound ID KU1o5WHtZN9
InChI InChI=1S/C46H54N4O11/c1-7-29(54)20-28-23-45(41(55)59-5,37-31(14-18-48(24-28)25-51)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)58-4)50(26-52)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(61-27(3)53)46(39,57)42(56)60-6/h9-13,15,21-22,25-26,28,38-40,47,57H,7-8,14,16-20,23-24H2,1-6H3/t28-,38?,39+,40+,43+,44+,45+,46-/m0/s1
InChIKey DFUHOOBFVYTEFW-PPLJXRPESA-N
Mol Weight 839.0 g/mol
Molecular Formula C46H54N4O11
Exact Mass 838.378909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1l5sS8KuUJq
Name N-FORMYLCATHARININE;ISOMER_1
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H54N4O11
InChI InChI=1S/C46H54N4O11/c1-7-29(54)20-28-23-45(41(55)59-5,37-31(14-18-48(24-28)25-51)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)58-4)50(26-52)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(61-27(3)53)46(39,57)42(56)60-6/h9-13,15,21-22,25-26,28,38-40,47,57H,7-8,14,16-20,23-24H2,1-6H3/t28-,38?,39+,40+,43+,44+,45+,46-/m0/s1
InChIKey DFUHOOBFVYTEFW-PPLJXRPESA-N
Literature Reference Author S.H.AHN,M.W.DUFFEL,J.P.N.ROSAZZA
Literature Reference Citation J.NAT.PROD.,60,1125(1997)
Literature Reference DOI 10.1021/np970226o
Molecular Weight 838.955 g/mol
Solvent CDCl3
Source File Reference UWMZ10822
SpectraBase Batch ID 89tazhMXA8w