Spektraris NMR
Calanone
Common Name: Calanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H20O5/c1-27(2)14-13-18-24(30)22(23(29)17-11-7-4-8-12-17)26-21(25(18)32-27)19(15-20(28)31-26)16-9-5-3-6-10-16/h3-15,30H,1-2H3
InChIKey: InChIKey=YIMMSKZEXWJKNU-UHFFFAOYSA-N
Formula: C27H20O5
Molecular Weight: 424.445709
Exact Mass: 424.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gustafson K.R., Bokesch H.R., Fuller R.W., Cardellina J.H., II, Kadushin M.R., Soejarto D.D., Boyd M.R. Tetrahedron Lett (1994) 35, 5821
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 158 |
| 3 (CH) | 112.6 |
| 4 (C) | 155.3 |
| 5 (C) | 156.4 |
| 6 (C) | 105.7 |
| 7 (C) | 161.5 |
| 8 (C) | 103.8 |
| 9 (C) | 155.9 |
| 10 (C) | 102.4 |
| 1' (C) | 139.7 |
| 2' (CH) | 127.2 |
| 3' (CH) | 127.5 |
| 4' (CH) | 127.8 |
| 5' (CH) | 127.5 |
| 6' (CH) | 127.2 |
| 6a (CH) | 115.2 |
| 6b (CH) | 127 |
| 6c (C) | 79.1 |
| 6d (CH3) | 27.4 |
| 6ca (CH3) | 27.4 |
| 8a (C) | 198.8 |
| 8b (C) | 140.3 |
| 8c (CH) | 128.2 |
| 8d (CH) | 128.2 |
| 8e (CH) | 132.3 |
| 8f (CH) | 128.2 |
| 8g (CH) | 128.2 |
