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(TRANS)-3-[4-[[6-[(E)-2-CARBOXYETHENYL]-3-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-2-(1,4-BENZODIOXIN)]-OXY]-3-HYDROXYPHENYL]-(E)-2-PROPENOIC-ACID
SpectraBase Compound ID JEdIBqNdgbm
InChI InChI=1S/C26H20O10/c27-17-6-5-16(13-18(17)28)25-26(35-20-7-1-14(11-19(20)29)3-9-23(30)31)36-21-8-2-15(4-10-24(32)33)12-22(21)34-25/h1-13,25-29H,(H,30,31)(H,32,33)/b9-3+,10-4+/t25-,26+/m0/s1
InChIKey NYLJJVIUBPKYLZ-OHLOQLRVSA-N
Mol Weight 492.44 g/mol
Molecular Formula C26H20O10
Exact Mass 492.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHUxCoh8w73
Name (TRANS)-3-[4-[[6-[(E)-2-CARBOXYETHENYL]-3-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-2-(1,4-BENZODIOXIN)]-OXY]-3-HYDROXYPHENYL]-(E)-2-PROPENOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H20O10
InChI InChI=1S/C26H20O10/c27-17-6-5-16(13-18(17)28)25-26(35-20-7-1-14(11-19(20)29)3-9-23(30)31)36-21-8-2-15(4-10-24(32)33)12-22(21)34-25/h1-13,25-29H,(H,30,31)(H,32,33)/b9-3+,10-4+/t25-,26+/m0/s1
InChIKey NYLJJVIUBPKYLZ-OHLOQLRVSA-N
Literature Reference Author X.WAN,H.LIU,X.HUANG,J.LUO,L.KONG
Literature Reference Citation CAN.J.CHEM.,86,821(2008)
Literature Reference DOI 10.1139/v08-090
Molecular Weight 492.439 g/mol
Solvent CD3OD
Source File Reference UWMZ46086