Spektraris NMR
(2S)-6-(γ,γ-Dimethylallyl)-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
![(2S)-6-(γ,γ-Dimethylallyl)-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone](/nmr/static/nmr/svg/18691.svg)
Common Name: (2S)-6-(γ,γ-Dimethylallyl)-3',4'-dimethoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O5/c1-16(2)7-8-18-13-20-21(28)15-23(17-9-10-22(29-5)24(14-17)30-6)31-26(20)19-11-12-27(3,4)32-25(18)19/h7,9-14,23H,8,15H2,1-6H3
InChIKey: InChIKey=KJBZFWLVOZNDBN-UHFFFAOYSA-N
Formula: C27H30O5
Molecular Weight: 434.525116
Exact Mass: 434.209324
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) | 79.2 |
| 3 (CH2) | 44.1 |
| 4 (C) | 190.9 |
| 5 (CH) | 121.6 |
| 6 (C) | 116.9 |
| 7 (C) | 160.5 |
| 8 (C) | 114.5 |
| 9 (C) | 157.3 |
| 10 (C) | 115.6 |
| 1' (C) | 131.8 |
| 2' (CH) | 109.5 |
| 3' (C) | 149.1 |
| 4' (C) | 149.1 |
| 5' (CH) | 111.2 |
| 6' (CH) | 118.4 |
| 2'' (C) | 77.4 |
| 3'' (CH) | 129 |
| 4'' (CH) | 121.8 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.2 |
| 1''' (CH2) | 21.9 |
| 2''' (CH) | 122.1 |
| 3''' (C) | 131.2 |
| 4''' (CH3) | 17.7 |
| 5''' (CH3) | 25.6 |
| 3'a (CH3) | 55.8 |
| 4'a (CH3) | 55.8 |
