[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Systematic / IUPAC Name: [2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

ID: Reference8126

Other Names:

Formula: C43H48O23

Spectral Data

[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/2/2018 8:14:04 AM
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Identificators

InChI InChI=1S/C43H48O23/c1-59-23-10-17(5-8-19(23)48)22-11-20(49)29-24(60-22)12-21(50)30(34(29)55)38-41(64-28(51)9-4-16-2-6-18(47)7-3-16)39(33(54)27(15-46)61-38)65-43-40(36(57)32(53)26(14-45)63-43)66-42-37(58)35(56)31(52)25(13-44)62-42/h2-12,25-27,31-33,35-48,50,52-58H,13-15H2,1H3/b9-4+
InChI Key KGIKNRDXVXAZPV-RUDMXATFSA-N
Canonical SMILES COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O)O)O
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PubChem 75536026