3',5,5',7,7'-Pentahydroxy-2'-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2,3,3',4'-tetrahydro-2'H,4H-3,6'-bichromen-4-one

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one

ID: Reference7643

Other Names: [3,6'-Bi-2H-1-Benzopyran]-4(3H)-one, 3',4'-dihydro-3',5,5',7,7'-pentahydroxy-2'-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-

Formula: C31H26O10

Spectral Data

3',5,5',7,7'-Pentahydroxy-2'-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2,3,3',4'-tetrahydro-2'H,4H-3,6'-bichromen-4-one 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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/27/2018 9:05:03 AM
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Identificators

InChI InChI=1S/C31H26O10/c1-39-18-8-4-15(5-9-18)31-27(29(38)25-20(34)10-17(33)11-24(25)41-31)26-21(35)13-23-19(28(26)37)12-22(36)30(40-23)14-2-6-16(32)7-3-14/h2-11,13,22,27,30-37H,12H2,1H3
InChI Key BKPFUQLDJWNCIK-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C5C(=C4O)CC(C(O5)C6=CC=C(C=C6)O)O)O
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Other Names [3,6'-Bi-2H-1-Benzopyran]-4(3H)-one, 3',4'-dihydro-3',5,5',7,7'-pentahydroxy-2'-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-

In Other Databases

PubChem 45360287
ChemSpider 22370413