Spektraris NMR
(-)-(2S)-5-Hydroxy-6'',6''-dimethylchromeno-(7,8:2'',3'')-flavanone
Common Name: (-)-(2S)-5-Hydroxy-6'',6''-dimethylchromeno-(7,8:2'',3'')-flavanone
Synonyms: (-)-(2S)-5-Hydroxy-6'',6''-dimethylchromeno-(7,8:2'',3'')-flavanone
CAS Registry Number:
InChI: InChI=1S/C20H18O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-9,11,16,22H,10H2,1-2H3/t16-/m0/s1
InChIKey: InChIKey=VYVZELWVPQMZDE-INIZCTEOSA-N
Formula: C20H18O4
Molecular Weight: 322.355271
Exact Mass: 322.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andrei, C.C., Ferreira, D.T., Faccione, M., de Moraes, L.A., de Carvalho, M.G., Braz-Filho, R. Phytochemistry (2000) 55, 799-804
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) | 78.97 |
| 3 (CH2) | 43.19 |
| 4 (C) | 196 |
| 5 (C) | 157 |
| 6 (CH) | 97.55 |
| 7 (C) | 164 |
| 8 (C) | 102 |
| 9 (C) | 162 |
| 10 (C) | 103 |
| 1' (C) | 139 |
| 2' (CH) | 125.91 |
| 3' (CH) | 128.72 |
| 4' (CH) | 128.66 |
| 5' (CH) | 128.72 |
| 6' (CH) | 125.91 |
| 2'' (C) | 78.08 |
| 3'' (CH) | 126.39 |
| 4'' (CH) | 115.48 |
| 5'' (CH3) | 28.18 |
| 6'' (CH3) | 28.42 |
