Spektraris NMR
Isorhamnetin 3,7-di-O-glucoside
Common Name: Isorhamnetin 3,7-di-O-glucoside
Synonyms: Isorhamnetin 3,7-di-O-glucoside
CAS Registry Number:
InChI: InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(45-28-24(39)22(37)19(34)16(8-30)44-28)20(35)17-12(32)5-10(6-14(17)42-25)41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
InChIKey: InChIKey=ZYYJHXKSQKLEBL-QDYVESOYSA-N
Formula: C28H32O17
Molecular Weight: 640.544593
Exact Mass: 640.16395
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sasaki K., Takahashi T. Phytochemistry (61) 339, 2002
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 160.2 |
| 3 (C) | 136.2 |
| 4 (C) | 180.3 |
| 5 (C) | 163.6 |
| 6 (CH) | 101.6 |
| 7 (C) | 165.5 |
| 8 (CH) | 96.5 |
| 9 (C) | 158.8 |
| 10 (C) | 108.4 |
| 1' (C) | 123 |
| 2' (CH) | 115.1 |
| 3' (C) | 149.5 |
| 4' (C) | 153 |
| 5' (CH) | 117.1 |
| 6' (CH) | 124.9 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 78.8 |
| 3'' (CH) | 75.5 |
| 4'' (CH) | 72 |
| 5'' (CH) | 79.2 |
| 6'' (CH2) | 63.3 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 78.6 |
| 3''' (CH) | 76.7 |
| 4''' (CH) | 72.3 |
| 5''' (CH) | 79.4 |
| 6''' (CH2) | 63.2 |
| 3'b (CH3) | 57.5 |
