6-[4-(beta-L-Glucopyranuronosyloxy)-3-hydroxyphenyl]-9-hydroxy-7-methoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

6-[4-(beta-L-Glucopyranuronosyloxy)-3-hydroxyphenyl]-9-hydroxy-7-methoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

Common Name: 6-[4-(beta-L-Glucopyranuronosyloxy)-3-hydroxyphenyl]-9-hydroxy-7-methoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

Synonyms: 6-[4-(beta-L-Glucopyranuronosyloxy)-3-hydroxyphenyl]-9-hydroxy-7-methoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

CAS Registry Number:

InChI: InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m1/s1

InChIKey: InChIKey=CHIQYVBCRPLTQS-YWKPTKIPSA-N

Formula: C23H20O14

Molecular Weight: 520.39741

Exact Mass: 520.085305

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Bergman, M., Varshavsky, L., Gottlieb, H.E., Grossman, S. Phytochemistry (2001) 58, 143-52

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) 157.44
3 (C) 140.24
4 (C) 180.65
5 (C) 142.46
6 (C) 131.24
7 (C) 156.18
8 (CH) 90.46
9 (C) 153.93
10 (C) 108.97
1' (C) 126.62
2' (CH) 117.33
3' (C) 148.32
4' (C) 148.96
5' (CH) 117.82
6' (CH) 121.93
1'' (CH) 103.25
2'' (CH) 74.52
3'' (CH) 76.98
4'' (CH) 73.06
5'' (CH) 76.71
6'' (C) 172.36
3a (CH3) 60.69
6a (CH2) 104.38