4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one

4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one

Common Name: 4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one

Synonyms: 4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one

CAS Registry Number:

InChI: InChI=1S/C23H22O12/c1-9(24)32-8-17-20(29)21(30)22(31)23(35-17)34-16-6-11(25)5-15-19(16)12(7-18(28)33-15)10-2-3-13(26)14(27)4-10/h2-7,17,20-23,25-27,29-31H,8H2,1H3/t17-,20-,21+,22-,23-/m1/s1

InChIKey: InChIKey=YHQLUSZEFHCADG-LDBVRRDLSA-N

Formula: C23H22O12

Molecular Weight: 490.414481

Exact Mass: 490.111126

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Mata R., Camacho M.del R., Mendoza S., Cruz M.del C. Phytochemistry (1992) 31, 3199

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) 160
3 (CH) 109.3
4 (C) 155.9
5 (C) 156.8
6 (CH) 99.8
7 (C) 165
8 (CH) 97.4
9 (C) 156.1
10 (C) 100
1' (C) 130.8
2' (CH) 115.6
3' (C) 145.7
4' (C) 144.2
5' (CH) 114.5
6' (CH) 119.2
5a (CH) 100.2
5b (CH) 72.9
5c (CH) 76
5d (CH) 69.6
5e (CH) 73.8
5f (CH2) 63.2
5g (C) 170.4
5h (CH3) 20.6