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(1R,3S,4S,5S,7R,9R,10R,11R)-1,7,9-TRI-PARA-NITROBENZOYLONGIPINANE

View entire compound with spectra: 1 NMR

(1R,3S,4S,5S,7R,9R,10R,11R)-1,7,9-TRI-PARA-NITROBENZOYLONGIPINANE
SpectraBase Compound ID IFxLEhRKS4G
InChI InChI=1S/C36H35N3O12/c1-19-17-26(49-32(40)20-5-11-23(12-6-20)37(43)44)30-31-29(19)36(30,4)28(51-34(42)22-9-15-25(16-10-22)39(47)48)18-27(35(31,2)3)50-33(41)21-7-13-24(14-8-21)38(45)46/h5-16,19,26-31H,17-18H2,1-4H3/t19-,26+,27+,28-,29+,30-,31+,36-/m0/s1
InChIKey MYVNOJLFDRJHNJ-DDBXAPLOSA-N
Mol Weight 701.7 g/mol
Molecular Formula C36H35N3O12
Exact Mass 701.222074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHnrADvE1aH
Name (1R,3S,4S,5S,7R,9R,10R,11R)-1,7,9-TRI-PARA-NITROBENZOYLONGIPINANE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H35N3O12
InChI InChI=1S/C36H35N3O12/c1-19-17-26(49-32(40)20-5-11-23(12-6-20)37(43)44)30-31-29(19)36(30,4)28(51-34(42)22-9-15-25(16-10-22)39(47)48)18-27(35(31,2)3)50-33(41)21-7-13-24(14-8-21)38(45)46/h5-16,19,26-31H,17-18H2,1-4H3/t19-,26+,27+,28-,29+,30-,31+,36-/m0/s1
InChIKey MYVNOJLFDRJHNJ-DDBXAPLOSA-N
Literature Reference Author M.MELENDEZ-RODRIGUEZ,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,65,1398(2002)
Literature Reference DOI 10.1021/np020158s
Molecular Weight 701.687 g/mol
Solvent CDCl3
Source File Reference UWBS1581