[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-(3,4-dihydroxyphenyl)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-(3,4-dihydroxyphenyl)prop-2-enoate

ID: Reference8125

Other Names:

Formula: C43H48O24

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-(3,4-dihydroxyphenyl)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 6:56:45 AM
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Identificators

InChI InChI=1S/C43H48O24/c1-60-23-9-16(4-6-18(23)48)22-10-20(50)29-24(61-22)11-21(51)30(34(29)56)38-41(65-28(52)7-3-15-2-5-17(47)19(49)8-15)39(33(55)27(14-46)62-38)66-43-40(36(58)32(54)26(13-45)64-43)67-42-37(59)35(57)31(53)25(12-44)63-42/h2-11,25-27,31-33,35-49,51,53-59H,12-14H2,1H3/b7-3+
InChI Key RUOOWOZSSMOGHQ-XVNBXDOJSA-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)O
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In Other Databases

PubChem 75536024