Spektraris NMR
Isorhamnetin 3,7-di-O-β-D-glucoside
Common Name: Isorhamnetin 3,7-di-O-β-D-glucoside
Synonyms:
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: DMSO-d6
MHz:
Calibration:
NMR references: 13C - el-Mousallami, A.M., Afifi, M.S., Hussein, S.A. Phytochemistry (2002) 60, 807-11
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 156.1 |
| 3 (C) | 133.5 |
| 4 (C) | 177.5 |
| 5 (C) | 160.6 |
| 6 (CH) | 99.5 |
| 7 (C) | 163.2 |
| 8 (CH) | 94.6 |
| 9 (C) | 156.9 |
| 10 (C) | 105.8 |
| 1' (C) | 122.2 |
| 2' (CH) | 113 |
| 3' (C) | 149.5 |
| 4' (C) | 146.9 |
| 5' (CH) | 115.9 |
| 6' (CH) | 122.8 |
| 1'' (CH) | 105.8 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 76.5 |
| 6'' (CH2) | 60.6 |
| 1''' (CH) | 99.7 |
| 2''' (CH) | 73.2 |
| 3''' (CH) | 76.6 |
| 4''' (CH) | 69.8 |
| 5''' (CH) | 76.8 |
| 6''' (CH2) | 60.3 |
| 3'a (CH3) | 55.9 |
