Spektraris NMR
Quercetin 3-neohesperidoside
Common Name: Quercetin 3-neohesperidoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15-,17-,18-,20+,21+,22+,25-,26-,27+/m1/s1
InChIKey: InChIKey=FYBMGZSDYDNBFX-CAMZQPOMSA-N
Formula: C27H30O16
Molecular Weight: 610.518571
Exact Mass: 610.153385
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 158.44 |
| 3 (C) | 134.57 |
| 4 (C) | 179.35 |
| 5 (C) | 163.18 |
| 6 (CH) | 99.66 |
| 7 (C) | 165.6 |
| 8 (CH) | 94.49 |
| 9 (C) | 158.38 |
| 10 (C) | 105.98 |
| 1' (C) | 123.22 |
| 2' (CH) | 117.21 |
| 3' (C) | 146 |
| 4' (C) | 149.54 |
| 5' (CH) | 115.98 |
| 6' (CH) | 123.48 |
| 1'' (CH) | 100.35 |
| 2'' (CH) | 80.13 |
| 3'' (CH) | 78.94 |
| 4'' (CH) | 71.72 |
| 5'' (CH) | 78.32 |
| 6'' (CH2) | 62.57 |
| 1''' (CH) | 102.64 |
| 2''' (CH) | 72.41 |
| 3''' (CH) | 72.31 |
| 4''' (CH) | 74.06 |
| 5''' (CH) | 69.96 |
| 6''' (CH3) | 17.46 |
