Spektraris NMR
Baicalein 6-OMe 7-glucuronide
Common Name: Baicalein 6-OMe 7-glucuronide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O11/c1-30-19-13(32-22-18(27)16(25)17(26)20(33-22)21(28)29)8-12-14(15(19)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)/t16-,17-,18+,20-,22+/m0/s1
InChIKey: InChIKey=QXIPXNZUEQYPLZ-QSUZLTIMSA-N
Formula: C22H20O11
Molecular Weight: 460.388459
Exact Mass: 460.100561
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) | 163.7 |
| 3 (CH) | 104.9 |
| 4 (C) | 182.5 |
| 5 (C) | 152.2 |
| 6 (C) | 132.8 |
| 7 (C) | 156.3 |
| 8 (CH) | 94.2 |
| 9 (C) | 152.4 |
| 10 (C) | 106.1 |
| 1' (C) | 130.6 |
| 2' (CH) | 126.3 |
| 3' (CH) | 129.1 |
| 4' (CH) | 132.1 |
| 5' (CH) | 129.1 |
| 6' (CH) | 126.3 |
| 1'' (CH) | 99.5 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 75.3 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 76 |
| 6'' (C) | 170.4 |
| 6a (CH3) | 60.3 |
