Spektraris NMR
(2S)-6-(y,y-Dimethylallyl)-5-hydroxy-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
![(2S)-6-(y,y-Dimethylallyl)-5-hydroxy-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone](/nmr/static/nmr/svg/18688.svg)
Common Name: (2S)-6-(y,y-Dimethylallyl)-5-hydroxy-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O6/c1-15(2)7-9-17-24(29)23-19(28)14-21(16-8-10-20(30-5)22(13-16)31-6)32-26(23)18-11-12-27(3,4)33-25(17)18/h7-8,10-13,21,29H,9,14H2,1-6H3
InChIKey: InChIKey=FUBFEZXQVKEAMQ-UHFFFAOYSA-N
Formula: C27H30O6
Molecular Weight: 450.524521
Exact Mass: 450.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, N., Casida, J.E. J Nat Prod (1999) 62, 205-10
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 (CH) | 78.7 |
| 3 (CH2) | 43.4 |
| 4 (C) | 196.2 |
| 5 (C) | 159.8 |
| 6 (C) | 102.9 |
| 7 (C) | 159.3 |
| 8 (C) | 108.6 |
| 9 (C) | 156.6 |
| 10 (C) | 102.7 |
| 1' (C) | 131.5 |
| 2' (CH) | 109.5 |
| 3' (C) | 149.4 |
| 4' (C) | 149.4 |
| 5' (CH) | 111.3 |
| 6' (CH) | 118.5 |
| 2'' (C) | 78.1 |
| 3'' (CH) | 125.9 |
| 4'' (CH) | 115.7 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.3 |
| 1''' (CH2) | 21.5 |
| 2''' (CH) | 122.6 |
| 3''' (C) | 131 |
| 4''' (CH3) | 17.8 |
| 5''' (CH3) | 25.8 |
| 3'a (CH3) | 56 |
| 4'a (CH3) | 56 |
