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METHYL_8B-O-METHYL-4'-DEMETHOXY-3',4'-METHYLENEDIOXYROCAGLATE
SpectraBase Compound ID LRkoAx29o0g
InChI InChI=1S/C29H28O9/c1-32-18-13-21(33-2)25-22(14-18)38-28(17-10-11-19-20(12-17)37-15-36-19)24(16-8-6-5-7-9-16)23(27(31)34-3)26(30)29(25,28)35-4/h5-14,23-24,26,30H,15H2,1-4H3/t23-,24-,26-,28+,29+/m1/s1
InChIKey LRAANIDQMLMHFL-IDAMAFBJSA-N
Mol Weight 520.53 g/mol
Molecular Formula C29H28O9
Exact Mass 520.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47fooaInWYg
Name METHYL_8B-O-METHYL-4'-DEMETHOXY-3',4'-METHYLENEDIOXYROCAGLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O9
InChI InChI=1S/C29H28O9/c1-32-18-13-21(33-2)25-22(14-18)38-28(17-10-11-19-20(12-17)37-15-36-19)24(16-8-6-5-7-9-16)23(27(31)34-3)26(30)29(25,28)35-4/h5-14,23-24,26,30H,15H2,1-4H3/t23-,24-,26-,28+,29+/m1/s1
InChIKey LRAANIDQMLMHFL-IDAMAFBJSA-N
Literature Reference Author L.PAN,U.M.ACUNA,J.LI,N.JENA,T.N.NINH,C.M.PANNELL,H.CHAI,J.R. FUCHS,E.J.C.DEBLANCO
Literature Reference Citation J.NAT.PROD.,76,394(2013)
Literature Reference DOI 10.1021/np3007588
Molecular Weight 520.536 g/mol
Sample ID 42288
Solvent CDCl3