5-O-b-D-glucopyranosyl-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one

5-O-b-D-glucopyranosyl-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one

Common Name: 5-O-b-D-glucopyranosyl-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H22O9/c1-28-12-7-14-18(13(9-17(24)29-14)11-5-3-2-4-6-11)15(8-12)30-22-21(27)20(26)19(25)16(10-23)31-22/h2-9,16,19-23,25-27H,10H2,1H3/t16-,19-,20+,21-,22-/m1/s1

InChIKey: InChIKey=JTKGBGDTRWEGCE-RECXWPGBSA-N

Formula: C22H22O9

Molecular Weight: 430.405531

Exact Mass: 430.126382

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Olmedo, D., Rodriguez, N., Vasquez, Y., Solis, P.N., Lopez-Perez, J.L., Feliciano, A.S., Gupta, M.P. J Nat Prod Res (2007) 21, 625-31

Species:

Notes: Family : Flavonoids, Type : Neoflavonoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
2 (C) 159.9
3 (CH) 112.5
4 (C) 155.9
5 (C) 156.2
6 (CH) 98.4
7 (C) 163.1
8 (CH) 95.5
9 (C) 103.7
10 (C) 156.7
1' (C) 130
2' (CH) 129.7
3' (CH) 114.4
4' (CH) 157.9
5' (CH) 114.4
6' (CH) 129.7
1'' (CH) 100.1
2'' (CH) 73
3'' (CH) 76.8
4'' (CH) 70
5'' (CH) 77.5
6'' (CH2) 61
7a (CH3) 56.2