Spektraris NMR
Sophoraflavonoloside
Common Name: Sophoraflavonoloside
Synonyms: Sophoraflavonoloside
CAS Registry Number:
InChI: InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey: InChIKey=LKZDFKLGDGSGEO-UJECXLDQSA-N
Formula: C27H30O16
Molecular Weight: 610.518571
Exact Mass: 610.153385
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Kondo, T. Phytochemistry (1999) 51, 1113-9
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 |
| 3 (C) | 132.8 |
| 4 (C) | 177.5 |
| 5 (C) | 160.9 |
| 6 (CH) | 98.4 |
| 7 (C) | 163.8 |
| 8 (CH) | 93.3 |
| 9 (C) | 156.1 |
| 10 (C) | 103.9 |
| 1' (C) | 120.9 |
| 2' (CH) | 130.6 |
| 3' (CH) | 115 |
| 4' (C) | 159.6 |
| 5' (CH) | 115 |
| 6' (CH) | 130.6 |
| 1'' (CH) | 98.4 |
| 2'' (CH) | 81.8 |
| 3'' (CH) | 76 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 76.5 |
| 6'' (CH2) | 60.5 |
| 1''' (CH) | 103.5 |
| 2''' (CH) | 73.9 |
| 3''' (CH) | 76 |
| 4''' (CH) | 69.1 |
| 5''' (CH) | 76.4 |
| 6''' (CH2) | 60.2 |
