Spektraris NMR
Chrysin 7-glucuronide
Common Name: Chrysin 7-glucuronide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=IDRSJGHHZXBATQ-ZFORQUDYSA-N
Formula: C21H18O10
Molecular Weight: 430.362437
Exact Mass: 430.089997
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Flamini G., Pardini M., Morelli I., Ertugrul K., Dural H., Bagci Y., Kargioglu M. Phytochemistry (2002) 61, 433-7
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) | 163.8 |
| 3 (CH) | 105.5 |
| 4 (C) | 182.2 |
| 5 (C) | 161.2 |
| 6 (CH) | 99.1 |
| 7 (C) | 162.7 |
| 8 (CH) | 94.8 |
| 9 (C) | 157.1 |
| 10 (C) | 105.7 |
| 1' (C) | 130.6 |
| 2' (CH) | 126.5 |
| 3' (CH) | 129.3 |
| 4' (CH) | 132.2 |
| 5' (CH) | 129.3 |
| 6' (CH) | 126.5 |
| 1'' (CH) | 99.7 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 75.5 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 75.8 |
| 6'' (C) | 170.1 |
