Spektraris NMR
Neotenone
Common Name: Neotenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3
InChIKey: InChIKey=JZNIBAUSQWDFGE-UHFFFAOYSA-N
Formula: C19H14O6
Molecular Weight: 338.311582
Exact Mass: 338.079038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vanpuyvelde, L., Dekimpe, N., Mudaheranwa, J.P., Gasiga, A., Schamp, N., Declercq, J.P., Vanmeerssche, M. J Nat Prod (1987) 50, 349-56
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 71.3 |
| 3 (CH) | 48.3 |
| 4 (C) | 192.6 |
| 5 (CH) | 120.8 |
| 6 (C) | 115.6 |
| 7 (C) | 159.2 |
| 8 (CH) | 99.6 |
| 9 (C) | 159.9 |
| 10 (C) | 118.8 |
| 1' (C) | 122.6 |
| 2' (C) | 152.8 |
| 3' (CH) | 95.4 |
| 4' (C) | 147.8 |
| 5' (C) | 141.4 |
| 6' (CH) | 109.8 |
| 6a (CH) | 107 |
| 6b (CH) | 146 |
| 2'a (CH3) | 56.5 |
| 4'a (CH2) | 101.3 |
