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METHYL_9-(4-METHYLPHENYL)-AMINO-9-DEOXY-ALPHA-APOPICROPODOPHYLLATE
SpectraBase Compound ID FBIC40yuBfb
InChI InChI=1S/C30H31NO7/c1-17-6-8-21(9-7-17)31-15-20-10-18-11-23-24(38-16-37-23)14-22(18)27(28(20)30(32)36-5)19-12-25(33-2)29(35-4)26(13-19)34-3/h6-14,27-28,31H,15-16H2,1-5H3/t27-,28-/m1/s1
InChIKey YFWOCHFNIFSCDO-VSGBNLITSA-N
Mol Weight 517.58 g/mol
Molecular Formula C30H31NO7
Exact Mass 517.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cITAR8WP6W
Name METHYL_9-(4-METHYLPHENYL)-AMINO-9-DEOXY-ALPHA-APOPICROPODOPHYLLATE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H31NO7
InChI InChI=1S/C30H31NO7/c1-17-6-8-21(9-7-17)31-15-20-10-18-11-23-24(38-16-37-23)14-22(18)27(28(20)30(32)36-5)19-12-25(33-2)29(35-4)26(13-19)34-3/h6-14,27-28,31H,15-16H2,1-5H3/t27-,28-/m1/s1
InChIKey YFWOCHFNIFSCDO-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 517.579 g/mol
Solvent CDCl3
Source File Reference UWMZ46302