2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-beta-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one

2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-beta-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one

Common Name: 2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-beta-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one

Synonyms: 2-(4-Hydroxyphenyl)-7-[6-O-(3,5-dihydroxy-3-methyl-1,5-dioxopentyl)-beta-D-glucopyranosyloxy]-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C29H32O16/c1-29(39,9-17(32)33)10-18(34)42-11-16-20(35)22(37)23(38)28(44-16)45-27-25(40-2)21(36)19-14(31)8-15(43-24(19)26(27)41-3)12-4-6-13(30)7-5-12/h4-8,16,20,22-23,28,30,35-39H,9-11H2,1-3H3,(H,32,33)/t16-,20-,22+,23-,28+,29?/m1/s1

InChIKey: InChIKey=KUBRQWGDWMRDKB-MVSAVPHTSA-N

Formula: C29H32O16

Molecular Weight: 636.555924

Exact Mass: 636.169035

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Nakagawa, H., Takaishi, Y., Tanaka, N., Tsuchiya, K., Shibata, H., Higuti, T. J Nat Prod (2006) 69, 1177-9

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) 166.5
3 (CH) 103.8
4 (C) 184.4
5 (C) 147.1
6 (C) 134.8
7 (C) 150.2
8 (C) 137.8
9 (C) 150.1
10 (C) 108.5
1' (C) 123
2' (CH) 129.5
3' (CH) 117.1
4' (C) 162.9
5' (CH) 117.1
6' (CH) 129.5
1'' (CH) 104.8
2'' (CH) 75.5
3'' (CH) 77.6
4'' (CH) 71.5
5'' (CH) 75.8
6'' (CH2) 64.4
1''' (C) 172.2
2''' (CH2) 46.2
3''' (C) 70.5
4''' (CH2) 45.7
5''' (C) 174.7
6''' (CH3) 27.6
6a (CH3) 62.8
8a (CH3) 61.6