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8B-O-METHYL-4'-DEMETHOXY-3',4'-METHYLENEDIOXYROCAGLAOL
SpectraBase Compound ID KMrv0pWkSLP
InChI InChI=1S/C27H26O7/c1-29-18-12-22(30-2)25-23(13-18)34-26(17-9-10-20-21(11-17)33-15-32-20)19(16-7-5-4-6-8-16)14-24(28)27(25,26)31-3/h4-13,19,24,28H,14-15H2,1-3H3/t19-,24+,26-,27+/m0/s1
InChIKey SKVASQVJEVFEOC-KTWRFPGGSA-N
Mol Weight 462.5 g/mol
Molecular Formula C27H26O7
Exact Mass 462.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqpcrV0BIEW
Name 8B-O-METHYL-4'-DEMETHOXY-3',4'-METHYLENEDIOXYROCAGLAOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O7
InChI InChI=1S/C27H26O7/c1-29-18-12-22(30-2)25-23(13-18)34-26(17-9-10-20-21(11-17)33-15-32-20)19(16-7-5-4-6-8-16)14-24(28)27(25,26)31-3/h4-13,19,24,28H,14-15H2,1-3H3/t19-,24+,26-,27+/m0/s1
InChIKey SKVASQVJEVFEOC-KTWRFPGGSA-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 462.499 g/mol
Sample ID 42287
Solvent CDCl3