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PIPERADUNCIN-A;METHYL-3-(1-[2,4-DIHYDROXY-6-METHOXY-3-(3-PHENYLPROPANOYL)-PHENYL]-3-METHYL-2-BUTENYL)-4-HYDROXYBENZOATE
SpectraBase Compound ID LGb8D28BR7D
InChI InChI=1S/C29H30O7/c1-17(2)14-21(20-15-19(29(34)36-4)11-13-22(20)30)26-25(35-3)16-24(32)27(28(26)33)23(31)12-10-18-8-6-5-7-9-18/h5-9,11,13-16,21,30,32-33H,10,12H2,1-4H3
InChIKey UWDJCYWVPNETPR-UHFFFAOYSA-N
Mol Weight 490.55 g/mol
Molecular Formula C29H30O7
Exact Mass 490.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbOlT8YajFC
Name Piperaduncin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O7
InChI InChI=1S/C29H30O7/c1-17(2)14-21(20-15-19(29(34)36-4)11-13-22(20)30)26-25(35-3)16-24(32)27(28(26)33)23(31)12-10-18-8-6-5-7-9-18/h5-9,11,13-16,21,30,32-33H,10,12H2,1-4H3
InChIKey UWDJCYWVPNETPR-UHFFFAOYSA-N
Molecular Weight 490.552 g/mol
SMILES Oc1c(c(c(C(c2c(ccc(c2)C(=O)OC)O)C=C(C)C)c(c1)OC)O)C(=O)CCc1ccccc1
SPLASH splash10-0uxr-1790000000-ba9881378d65d5509ec9
Source of Spectrum X2-57-26-3
Synonyms 3-[1-(3-hydrocinnamoyl-2,4-dihydroxy-6-methoxy-phenyl)-3-methyl-but-2-enyl]-4-hydroxy-benzoic acid methyl ester 3-[1-[2,4-dihydroxy-6-methoxy-3-(1-oxo-3-phenylpropyl)phenyl]-3-methylbut-2-enyl]-4-hydroxybenzoic acid methyl ester Methyl 3-[1-[2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl]-3-methyl-but-2-enyl]-4-hydroxy-benzoate Methyl 3-[1-[6-methoxy-2,4-bis(oxidanyl)-3-(3-phenylpropanoyl)phenyl]-3-methyl-but-2-enyl]-4-oxidanyl-benzoate
Wiley ID 1605318