4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

Common Name: 4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

Synonyms: 4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

CAS Registry Number:

InChI: InChI=1S/C33H40O20/c34-7-17-22(39)25(42)28(45)31(50-17)49-13-5-15(37)20-16(6-13)47-10-14(21(20)38)11-1-3-12(4-2-11)48-33-30(27(44)24(41)19(9-36)52-33)53-32-29(46)26(43)23(40)18(8-35)51-32/h1-6,10,17-19,22-37,39-46H,7-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-/m1/s1

InChIKey: InChIKey=DXPLUBSZMWAOPG-TWSMYHQDSA-N

Formula: C33H40O20

Molecular Weight: 756.660013

Exact Mass: 756.211294

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Tang, Y., Lou, F., Wang, J., Zhuang, S. J Nat Prod (2001) 64, 1107-10

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) 155.1
3 (C) 124.1
4 (C) 180.4
5 (C) 161.6
6 (CH) 99.7
7 (C) 163.1
8 (CH) 94.7
9 (C) 157.2
10 (C) 106.1
1' (C) 122.2
2' (CH) 130.2
3' (CH) 115.6
4' (C) 157.1
5' (CH) 115.6
6' (CH) 130.2
1'' (CH) 99.9
2'' (CH) 73.1
3'' (CH) 76.4
4'' (CH) 69.6
5'' (CH) 77.2
6'' (CH2) 60.7
1''' (CH) 98.3
2''' (CH) 82.4
3''' (CH) 76.6
4''' (CH) 69.7
5''' (CH) 76.9
6''' (CH2) 60.6
1'''' (CH) 104.1
2'''' (CH) 74.4
3'''' (CH) 76.7
4'''' (CH) 69.9
5'''' (CH) 77
6'''' (CH2) 60.8