Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-23(29-4)14-21(28)25-20(27)13-22(30-26(24)25)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,22,28H,10-11,13H2,1-4H3/t18-,19?,22?/m0/s1
InChIKey: InChIKey=AHSGBCHOIWPPDO-PGFLUOATSA-N
Formula: C26H30O4
Molecular Weight: 406.514976
Exact Mass: 406.214409
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - K. Ichino, H. Tanaka, K. Ito Chem Pharm Bull (1987) 35, 920
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 80.1 |
| 3 (CH2) | 43.8 |
| 4 (C) | 197.4 |
| 5 (C) | 162.6 |
| 6 (CH) | 92.1 |
| 7 (C) | 167.4 |
| 8 (C) | 113.3 |
| 9 (C) | 162.2 |
| 10 (C) | 103.6 |
| 1' (C) | 140.1 |
| 2' (CH) | 127.3 |
| 3' (CH) | 129.5 |
| 4' (CH) | 126.5 |
| 5' (CH) | 129.5 |
| 6' (CH) | 127.3 |
| 7a (CH3) | 55.5 |
| 8a (CH) | 42.4 |
| 8b (CH) | 29.3 |
| 8c (CH2) | 23.6 |
| 8d (CH2) | 31.5 |
| 8e (C) | 132.5 |
| 8f (CH) | 126.5 |
| 8g (CH) | 21.8 |
| 8h (CH3) | 16.7 |
| 8i (CH3) | 16.7 |
| 8j (CH3) | 23.9 |
