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(-)-PANNELLIN;METHYL-6,7,8,8A-TETRAHYDRO-8,8A-DIHYDROXY-9-METHOXY-5A-(4-METHOXYPHENYL)-6-PHENYL-5AH-CYClOPENTA-[4,5]-FURO-[2,3-F]-1,3-BENZODIOXAOL
SpectraBase Compound ID Jt36KzmEJnW
InChI InChI=1S/C28H26O9/c1-32-17-11-9-16(10-12-17)28-21(15-7-5-4-6-8-15)20(26(30)34-3)25(29)27(28,31)22-18(37-28)13-19-23(24(22)33-2)36-14-35-19/h4-13,20-21,25,29,31H,14H2,1-3H3/t20-,21-,25-,27+,28+/m1/s1
InChIKey WMHYJLIVXJIYCQ-IKLPSFCOSA-N
Mol Weight 506.51 g/mol
Molecular Formula C28H26O9
Exact Mass 506.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWbXHdzpcG1
Name (-)-PANNELLIN;METHYL-6,7,8,8A-TETRAHYDRO-8,8A-DIHYDROXY-9-METHOXY-5A-(4-METHOXYPHENYL)-6-PHENYL-5AH-CYClOPENTA-[4,5]-FURO-[2,3-F]-1,3-BENZODIOXAOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26O9
InChI InChI=1S/C28H26O9/c1-32-17-11-9-16(10-12-17)28-21(15-7-5-4-6-8-15)20(26(30)34-3)25(29)27(28,31)22-18(37-28)13-19-23(24(22)33-2)36-14-35-19/h4-13,20-21,25,29,31H,14H2,1-3H3/t20-,21-,25-,27+,28+/m1/s1
InChIKey WMHYJLIVXJIYCQ-IKLPSFCOSA-N
Literature Reference Author G.BRADER,S.VAJRODAYA,H.GREGER,M.BACHER,H.KALCHHAUSER,O.HOFER
Literature Reference Citation J.NAT.PROD.,61,1482(1998)
Literature Reference DOI 10.1021/np9801965
Molecular Weight 506.509 g/mol
Solvent CDCl3
Source File Reference UWRJ119