5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-3,8'-bichromene-4,4'-dione

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Systematic / IUPAC Name: 3-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

ID: Reference7833

Other Names: 3,8''-Biapigenin;
3,8'-Biapigenin;
4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone;
8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Formula: C30H18O10

Spectral Data

5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-3,8'-bichromene-4,4'-dione 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 4/23/2018 7:52:38 AM
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Identificators

InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
InChI Key IQAMTZLKUHMPPE-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
CAS 101140061
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Other Names 3,8''-Biapigenin;
3,8'-Biapigenin;
4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone;
8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

In Other Databases

ChEMBL CHEMBL515252
ChemSpider 8590290
PubChem 10414856
HMDb HMDB38856