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METHYL_9-(4-METHOXYPHENYL)-AMINO-9-DEOXY-ALPHA-APOPICROPODOPHYLLATE
SpectraBase Compound ID BUwoZ7e7YwW
InChI InChI=1S/C30H31NO8/c1-33-21-8-6-20(7-9-21)31-15-19-10-17-11-23-24(39-16-38-23)14-22(17)27(28(19)30(32)37-5)18-12-25(34-2)29(36-4)26(13-18)35-3/h6-14,27-28,31H,15-16H2,1-5H3/t27-,28-/m1/s1
InChIKey PDJBCWRIMDYPCG-VSGBNLITSA-N
Mol Weight 533.58 g/mol
Molecular Formula C30H31NO8
Exact Mass 533.204967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvB9xhe1bsh
Name METHYL_9-(4-METHOXYPHENYL)-AMINO-9-DEOXY-ALPHA-APOPICROPODOPHYLLATE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H31NO8
InChI InChI=1S/C30H31NO8/c1-33-21-8-6-20(7-9-21)31-15-19-10-17-11-23-24(39-16-38-23)14-22(17)27(28(19)30(32)37-5)18-12-25(34-2)29(36-4)26(13-18)35-3/h6-14,27-28,31H,15-16H2,1-5H3/t27-,28-/m1/s1
InChIKey PDJBCWRIMDYPCG-VSGBNLITSA-N
Literature Reference Author M.A.CASTRO,J.M.M.DELCORRAL,P.A.GARCIA,M.V.ROJO,J.DELAIGLESIA S-VICENTE,F.MOLLINED
Literature Reference Citation J.MED.CHEM.,53,983(2010)
Literature Reference DOI 10.1021/jm901373w
Molecular Weight 533.578 g/mol
Solvent CDCl3
Source File Reference UWMZ46301