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ALLYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
SpectraBase Compound ID 9GiOCadFSkK
InChI InChI=1S/C25H24O8/c1-5-6-31-25(27)23-16(12-26)7-14-8-18-19(33-13-32-18)11-17(14)22(23)15-9-20(28-2)24(30-4)21(10-15)29-3/h5,7-12,22-23H,1,6,13H2,2-4H3/t22-,23-/m1/s1
InChIKey XLAXMGXLFFMTSA-DHIUTWEWSA-N
Mol Weight 452.46 g/mol
Molecular Formula C25H24O8
Exact Mass 452.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFvwmM3maM0
Name ALLYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O8
InChI InChI=1S/C25H24O8/c1-5-6-31-25(27)23-16(12-26)7-14-8-18-19(33-13-32-18)11-17(14)22(23)15-9-20(28-2)24(30-4)21(10-15)29-3/h5,7-12,22-23H,1,6,13H2,2-4H3/t22-,23-/m1/s1
InChIKey XLAXMGXLFFMTSA-DHIUTWEWSA-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 452.461 g/mol
Solvent CDCl3
Source File Reference UWMZ46288