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3-BROMOPROPYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
SpectraBase Compound ID GwQr5cq08LV
InChI InChI=1S/C25H25BrO8/c1-29-20-9-15(10-21(30-2)24(20)31-3)22-17-11-19-18(33-13-34-19)8-14(17)7-16(12-27)23(22)25(28)32-6-4-5-26/h7-12,22-23H,4-6,13H2,1-3H3/t22-,23-/m1/s1
InChIKey SPAWKYXSGSQPQZ-DHIUTWEWSA-N
Mol Weight 533.37 g/mol
Molecular Formula C25H25BrO8
Exact Mass 532.073281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSE4uQC0UsC
Name 3-BROMOPROPYL_9-DEOXY-9-OXO-ALPHA-APOPICROPODOPHYLLATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25BrO8
InChI InChI=1S/C25H25BrO8/c1-29-20-9-15(10-21(30-2)24(20)31-3)22-17-11-19-18(33-13-34-19)8-14(17)7-16(12-27)23(22)25(28)32-6-4-5-26/h7-12,22-23H,4-6,13H2,1-3H3/t22-,23-/m1/s1
InChIKey SPAWKYXSGSQPQZ-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 533.373 g/mol
Solvent CDCl3
Source File Reference UWMZ46293