Spektraris NMR
isolinderatone
Common Name: isolinderatone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O4/c1-14(2)17-10-9-15(3)11-18(17)23-19(26)12-20(27)24-21(28)13-22(29-25(23)24)16-7-5-4-6-8-16/h4-8,11-12,14,17-18,22,26-27H,9-10,13H2,1-3H3/t17-,18?,22?/m1/s1
InChIKey: InChIKey=LGKJJUMVDIOTCE-PDDLGQBUSA-N
Formula: C25H28O4
Molecular Weight: 392.488358
Exact Mass: 392.198759
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) | 79.9 |
| 3 (CH2) | 43.8 |
| 4 (C) | 197.5 |
| 5 (C) | 165.6 |
| 6 (CH) | 96.8 |
| 7 (C) | 163.1 |
| 8 (C) | 110.7 |
| 9 (C) | 162.1 |
| 10 (C) | 130.5 |
| 1' (C) | 140.2 |
| 2' (CH) | 129.2 |
| 3' (CH) | 129.1 |
| 4' (CH) | 127.1 |
| 5' (CH) | 129.1 |
| 6' (CH) | 129.2 |
| 8a (CH) | 43.2 |
| 8b (CH) | 29.3 |
| 8c (CH2) | 23.5 |
| 8d (CH2) | 30.3 |
| 8e (C) | 135.5 |
| 8f (CH) | 126.4 |
| 8g (CH) | 21.9 |
| 8h (CH3) | 16.7 |
| 8i (CH3) | 16.7 |
| 8j (CH3) | 23.5 |
