2-(4-Hydroxyphenyl)-5,6-dihydroxy-7-(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one

2-(4-Hydroxyphenyl)-5,6-dihydroxy-7-(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one

Common Name: 2-(4-Hydroxyphenyl)-5,6-dihydroxy-7-(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one

Synonyms: 2-(4-Hydroxyphenyl)-5,6-dihydroxy-7-(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyloxy)-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C25H26O14/c26-10-3-1-9(2-4-10)14-5-11(27)17-15(37-14)6-16(20(32)21(17)33)38-25-23(19(31)13(29)8-36-25)39-24-22(34)18(30)12(28)7-35-24/h1-6,12-13,18-19,22-26,28-34H,7-8H2/t12-,13-,18+,19+,22-,23-,24+,25+/m1/s1

InChIKey: InChIKey=JULUBRPGFQSYOZ-FWCIWKIHSA-N

Formula: C25H26O14

Molecular Weight: 550.466526

Exact Mass: 550.132256

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Mitchell K.A., Markham K.R., Bayly M.J. Phytochemistry (2001) 56, 453-61

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) 164.3
3 (CH) 102.7
4 (C) 182.6
5 (C) 146
6 (C) 130.9
7 (C) 150.7
8 (CH) 94.3
9 (C) 149.1
10 (C) 106.1
1' (C) 121.1
2' (CH) 128.5
3' (CH) 116
4' (C) 161.5
5' (CH) 116
6' (CH) 128.5
1'' (CH) 100.2
2'' (CH) 82.1
3'' (CH) 74.8
4'' (CH) 68.8
5'' (CH2) 65.7
1''' (CH) 105.1
2''' (CH) 74.2
3''' (CH) 76
4''' (CH) 69.3
5''' (CH2) 65.7