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
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.
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 |
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)- |