Spektraris NMR
Takakin 8-O-glucuronide
Common Name: Takakin 8-O-glucuronide
Synonyms: Takakin 8-O-glucuronide
CAS Registry Number:
InChI: InChI=1S/C22H20O12/c1-31-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)18(19(14)32-13)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-23,25-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
InChIKey: InChIKey=ZMYPSKWZWWORAM-NTKSAMNMSA-N
Formula: C22H20O12
Molecular Weight: 476.387864
Exact Mass: 476.095476
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Saiki, Y., Hama, T., Fujimoto, Y., Endang, H., Umar, M., Satake, T. Phytochemistry (2001) 57, 297-301
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) | 162.94 |
| 3 (CH) | 102.82 |
| 4 (C) | 181.38 |
| 5 (C) | 157.27 |
| 6 (CH) | 99.88 |
| 7 (C) | 162.13 |
| 8 (C) | 125.88 |
| 9 (C) | 149.35 |
| 10 (C) | 102.82 |
| 1' (C) | 122.9 |
| 2' (CH) | 128.81 |
| 3' (CH) | 114.46 |
| 4' (C) | 162.13 |
| 5' (CH) | 114.46 |
| 6' (CH) | 128.81 |
| 1'' (CH) | 106.68 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 75.74 |
| 4'' (CH) | 72.21 |
| 5'' (CH) | 76.53 |
| 6'' (C) | 171.15 |
| 4'b (CH3) | 55.42 |
