Spektraris NMR
6-Hydroxyapigenin
Common Name: 6-Hydroxyapigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1
InChIKey: InChIKey=VUGRLRAUZWGZJP-IAAKTDFRSA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Peng, Z.F., Strack, D., Baumert, A., Subramaniam, R., Goh, N.K., Chia, T.F., Tan, S.N., Chia, L.S. Phytochemistry (2003) 62, 219-28
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) | 164.1 |
| 3 (CH) | 102.5 |
| 4 (C) | 182.3 |
| 5 (C) | 146.4 |
| 6 (C) | 130.4 |
| 7 (C) | 149.1 |
| 8 (CH) | 94.2 |
| 9 (C) | 151.3 |
| 10 (C) | 105.9 |
| 1' (C) | 121.3 |
| 2' (CH) | 128.4 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 128.4 |
| 1'' (CH) | 101.1 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 75.7 |
| 4'' (CH) | 69.6 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60.6 |
