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PIPERADUNCIN-B;METHYL-4-HYDROXY-3-[2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-6-HYDROXY-4-METHOXY-7-(3-PHENYLPROPANOYL)-BENZO-[B]-FURAN-3-YL)-BENZOATE
SpectraBase Compound ID 5M8HUioSOJG
InChI InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1
InChIKey KGNWKZGVYSTAOX-HOFKKMOUSA-N
Mol Weight 506.55 g/mol
Molecular Formula C29H30O8
Exact Mass 506.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDAlg9ClWFt
Name PIPERADUNCIN-B;METHYL-4-HYDROXY-3-[2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-6-HYDROXY-4-METHOXY-7-(3-PHENYLPROPANOYL)-BENZO-[B]-FURAN-3-YL)-BENZOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O8
InChI InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1
InChIKey KGNWKZGVYSTAOX-HOFKKMOUSA-N
Literature Reference Author J.ORJALA,A.D.WRIGHT,H.BEHRENDS,G.FOLKERS,O.STICHER,H.RUEGGER ,T.RALI
Literature Reference Citation J.NAT.PROD.,57,18(1994)
Literature Reference DOI 10.1021/np50103a003
Molecular Weight 506.552 g/mol
Solvent CDCl3
Source File Reference UWCS17796