2-(3,4-Dihydroxyphenyl)-3-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

2-(3,4-Dihydroxyphenyl)-3-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Common Name: 2-(3,4-Dihydroxyphenyl)-3-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Synonyms: 2-(3,4-Dihydroxyphenyl)-3-[4-O,6-O-bis(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C35H28O20/c36-14-8-17(39)24-22(9-14)52-30(11-1-2-15(37)16(38)3-11)32(27(24)46)55-35-29(48)28(47)31(54-34(50)13-6-20(42)26(45)21(43)7-13)23(53-35)10-51-33(49)12-4-18(40)25(44)19(41)5-12/h1-9,23,28-29,31,35-45,47-48H,10H2/t23-,28-,29-,31-,35+/m1/s1

InChIKey: InChIKey=MRUQVWOQCMKJPB-XFZVVQBLSA-N

Formula: C35H28O20

Molecular Weight: 768.586196

Exact Mass: 768.117393

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Hussein, A.A., Barberena, I., Correa, M., Coley, P.D., Solis, P.N., Gupta, M.P. J Nat Prod (2005) 68, 231-3

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) 160.1
3 (C) 136
4 (C) 179.9
5 (C) 163.5
6 (CH) 100.7
7 (C) 166.5
8 (CH) 95.7
9 (C) 159
10 (C) 106.3
1' (C) 124.4
2' (CH) 118
3' (C) 147.2
4' (C) 150.4
5' (CH) 116.7
6' (CH) 123.7
1'' (CH) 104.9
2'' (CH) 76.7
3'' (CH) 74.5
4'' (CH) 73
5'' (CH) 74.5
6'' (CH2) 64.3
4''a (C) 168.7
4''b (C) 121.9
4''c (CH) 111.2
4''d (C) 146.7
4''e (C) 140.8
4''f (C) 146.7
4''g (CH) 111.2
6''a (C) 168.3
6''b (C) 121.8
6''c (CH) 111.1
6''d (C) 146.5
6''e (C) 140.5
6''f (C) 146.5
6''g (CH) 111.1