Spektraris NMR
Chrysin 7-glucuronide methyl ester
Common Name: Chrysin 7-glucuronide methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O10/c1-29-21(28)20-18(26)17(25)19(27)22(32-20)30-11-7-12(23)16-13(24)9-14(31-15(16)8-11)10-5-3-2-4-6-10/h2-9,17-20,22-23,25-27H,1H3/t17-,18-,19+,20-,22+/m0/s1
InChIKey: InChIKey=ULRSPGXVHUAZKH-SXFAUFNYSA-N
Formula: C22H20O10
Molecular Weight: 444.389054
Exact Mass: 444.105647
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) | 105.6 |
| 4 (C) | 182.3 |
| 5 (C) | 161.3 |
| 6 (CH) | 99.4 |
| 7 (C) | 162.7 |
| 8 (CH) | 94.8 |
| 9 (C) | 157.2 |
| 10 (C) | 105.1 |
| 1' (C) | 130.6 |
| 2' (CH) | 126.6 |
| 3' (CH) | 129.2 |
| 4' (CH) | 132.3 |
| 5' (CH) | 129.2 |
| 6' (CH) | 126.6 |
| 1'' (CH) | 99.6 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 75.2 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 75.5 |
| 6'' (C) | 169.3 |
| 6''b (CH3) | 52 |
