Spektraris NMR
(2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
![(2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone](/nmr/static/nmr/svg/11822.svg)
Common Name: (2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Synonyms: (2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
CAS Registry Number:
InChI: InChI=1S/C21H20O6/c1-21(2)7-6-12-18(27-21)10-15(24)19-14(23)9-17(26-20(12)19)11-4-5-16(25-3)13(22)8-11/h4-8,10,17,22,24H,9H2,1-3H3/t17-/m0/s1
InChIKey: InChIKey=IAYOSEMOKOQXBK-KRWDZBQOSA-N
Formula: C21H20O6
Molecular Weight: 368.380698
Exact Mass: 368.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rahman, M.M., Gray, A.I. Phytochemistry (2002) 59, 73-7
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) | 79 |
| 3 (CH2) | 43.4 |
| 4 (C) | 196.1 |
| 5 (C) | 164 |
| 6 (CH) | 97.8 |
| 7 (C) | 162.5 |
| 8 (C) | 102.2 |
| 9 (C) | 157 |
| 10 (C) | 103.1 |
| 1' (C) | 131.9 |
| 2' (CH) | 118.2 |
| 3' (C) | 146.1 |
| 4' (C) | 147.1 |
| 5' (CH) | 112.8 |
| 6' (CH) | 108.8 |
| 2'' (C) | 78.4 |
| 3'' (CH) | 126.6 |
| 4'' (CH) | 115.9 |
| 5'' (CH3) | 28.5 |
| 6'' (CH3) | 28.7 |
| 4'a (CH3) | 56.3 |
