Spektraris NMR
Chalcononaringenin 2'-O- -d-glucoside-4'-O-gentiobioside
Common Name: Chalcononaringenin 2'-O- -d-glucoside-4'-O-gentiobioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O20/c34-9-18-22(39)25(42)28(45)31(51-18)48-11-20-24(41)27(44)29(46)32(53-20)49-14-7-16(38)21(15(37)6-3-12-1-4-13(36)5-2-12)17(8-14)50-33-30(47)26(43)23(40)19(10-35)52-33/h1-8,18-20,22-36,38-47H,9-11H2/b6-3+/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32-,33-/m1/s1
InChIKey: InChIKey=VTFGBUPKGZVIHW-LLXNIRLZSA-N
Formula: C33H42O20
Molecular Weight: 758.675895
Exact Mass: 758.226944
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Iwashina, T., Kitajima, J. Phytochemistry (2000) 55, 971-4
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 108.4 |
| 2 (CH) | 164.2 |
| 3 (CH) | 98.8 |
| 4 (C) | 166.9 |
| 5 (CH) | 95.8 |
| 6 (CH) | 161.5 |
| α (CH) | 125.3 |
| β (CH) | 144.3 |
| 1' (C) | 127.4 |
| 2' (C) | 131.7 |
| 3' (CH) | 116.9 |
| 4' (C) | 161 |
| 5' (CH) | 116.9 |
| 6' (C) | 131.7 |
| β' (C) | 193.9 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.5 |
| 1''' (CH) | 102.1 |
| 2''' (CH) | 75.1 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 79.2 |
| 6''' (CH2) | 62.5 |
| 1'''' (CH) | 100.8 |
| 2'''' (CH) | 74.9 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.4 |
| 5'''' (CH) | 77.4 |
| 6'''' (CH2) | 69.9 |
