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CINNAMOYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
SpectraBase Compound ID 7TbCQb4CJfr
InChI InChI=1S/C31H28O8/c1-34-26-14-21(15-27(35-2)30(26)36-3)28-23-16-25-24(38-18-39-25)13-20(23)12-22(17-32)29(28)31(33)37-11-7-10-19-8-5-4-6-9-19/h4-10,12-17,28-29H,11,18H2,1-3H3/b10-7+/t28-,29-/m1/s1
InChIKey JEVZSEHNQPCASV-UFKGKAHUSA-N
Mol Weight 528.56 g/mol
Molecular Formula C31H28O8
Exact Mass 528.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6xmqMewjoK
Name CINNAMOYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28O8
InChI InChI=1S/C31H28O8/c1-34-26-14-21(15-27(35-2)30(26)36-3)28-23-16-25-24(38-18-39-25)13-20(23)12-22(17-32)29(28)31(33)37-11-7-10-19-8-5-4-6-9-19/h4-10,12-17,28-29H,11,18H2,1-3H3/b10-7+/t28-,29-/m1/s1
InChIKey JEVZSEHNQPCASV-UFKGKAHUSA-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 528.559 g/mol
Solvent CDCl3
Source File Reference UWMZ46290