Spektraris NMR
4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(alpha-L-rhamnopyranosyloxy)isoflavone
Common Name: 4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(alpha-L-rhamnopyranosyloxy)isoflavone
Synonyms: 4'-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-5-hydroxy-7-(alpha-L-rhamnopyranosyloxy)isoflavone
CAS Registry Number:
InChI: InChI=1S/C33H40O19/c1-11-21(37)25(41)28(44)31(47-11)49-14-6-16(36)20-17(7-14)46-10-15(22(20)38)12-2-4-13(5-3-12)48-33-30(27(43)24(40)19(9-35)51-33)52-32-29(45)26(42)23(39)18(8-34)50-32/h2-7,10-11,18-19,21,23-37,39-45H,8-9H2,1H3/t11-,18+,19+,21-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+/m0/s1
InChIKey: InChIKey=GBAQGJJKVNSNNJ-JDBMYOLGSA-N
Formula: C33H40O19
Molecular Weight: 740.660608
Exact Mass: 740.216379
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 |
| 4 (C) | 180.4 |
| 5 (C) | 161.6 |
| 6 (CH) | 99.7 |
| 7 (C) | 161.3 |
| 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) | 98.5 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 69.8 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18 |
| 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 |
