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)
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 |