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LETESTUIANIN-B;(4Z,6E)-5-HYDROXY-1,7-BIS-(4-HYDROXY-3-METHOXYPHENYL)-HEPTA-4,6-DIEN-3-ONE
SpectraBase Compound ID JW2e3PddgOQ
InChI InChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+,16-13-
InChIKey BWHPKBOLJFNCPW-YJNULWIISA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5AOkWGTrbc
Name (4Z,6E)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-hepta-4,6-dien-3-one
Appearance Shiny yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+,16-13-
InChIKey BWHPKBOLJFNCPW-YJNULWIISA-N
Instrument Name JEOL SX102
Ionization Type EI
Literature Reference DOI 10.1021/np020362f
Molecular Weight 370.401 g/mol
Reported Formula C21H22O6
SMILES O\C(\C=C\c1ccc(c(c1)OC)O)=C/C(CCc1cc(c(cc1)O)OC)=O
SPLASH splash10-002r-1903000000-b92f7bcf9ef9181840e4
Source of Spectrum G4-66-366-2
Synonyms Letestuianin B
Wiley ID 1881254