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Piperaduncin B
SpectraBase Compound ID 9HTTPevVTbS
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
InChIKey KGNWKZGVYSTAOX-UHFFFAOYSA-N
Mol Weight 506.55 g/mol
Molecular Formula C29H30O8
Exact Mass 506.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jRgzLPBDLe
Name Piperaduncin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
InChIKey KGNWKZGVYSTAOX-UHFFFAOYSA-N
Molecular Weight 506.551 g/mol
SMILES Oc1ccc(cc1C1C(Oc2c1c(cc(c2C(=O)CCc1ccccc1)O)OC)C(O)(C)C)C(=O)OC
SPLASH splash10-00di-0101920000-0fbf775f61d52f59f041
Source of Spectrum X2-57-26-4
Synonyms 3-[7-hydrocinnamoyl-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-coumaran-3-yl]-4-hydroxy-benzoic acid methyl ester 4-Hydroxy-3-[6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-7-(1-oxo-3-phenylpropyl)-2,3-dihydrobenzofuran-3-yl]benzoic acid methyl ester Methyl 3-[4-methoxy-6-oxidanyl-2-(2-oxidanylpropan-2-yl)-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]-4-oxidanyl-benzoate Methyl 4-hydroxy-3-[6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydrobenzofuran-3-yl]benzoate Methyl 4-hydroxy-3-[6-hydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-7-(3-phenylpropanoyl)-2,3-dihydro-1-benzofuran-3-yl]benzoate
Wiley ID 1605317