Spektraris NMR
Quercetin 3,7-diglucoside
Common Name: Quercetin 3,7-diglucoside
Synonyms: Quercetin 3,7-diglucoside
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey: InChIKey=BNSCASRSSGJHQH-DEFKTLOSSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
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 |
| 3 (C) | 133.6 |
| 4 (C) | 177.6 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.3 |
| 7 (C) | 162.8 |
| 8 (CH) | 94.3 |
| 9 (C) | 156 |
| 10 (C) | 105.7 |
| 1' (C) | 121 |
| 2' (CH) | 115.4 |
| 3' (C) | 144.7 |
| 4' (C) | 148.6 |
| 5' (CH) | 116.3 |
| 6' (CH) | 121.6 |
| 1'' (CH) | 100.5 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 76.4 |
| 6'' (CH2) | 60.9 |
| 1''' (CH) | 99.6 |
| 2''' (CH) | 73.1 |
| 3''' (CH) | 76.4 |
| 4''' (CH) | 69.5 |
| 5''' (CH) | 76.5 |
| 6''' (CH2) | 60.6 |
