Spektraris NMR
3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
Common Name: 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
Synonyms: 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
CAS Registry Number:
InChI: InChI=1S/C26H28O7/c1-13(2)6-8-15-23(31-5)16-11-21(26(3,4)30)33-25(16)22-19(29)12-20(32-24(15)22)14-7-9-17(27)18(28)10-14/h6-7,9-11,20,27-28,30H,8,12H2,1-5H3
InChIKey: InChIKey=GNUVMQAGBJMMEC-UHFFFAOYSA-N
Formula: C26H28O7
Molecular Weight: 452.497309
Exact Mass: 452.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wattanapiromsakul, C., Waterman, P.G. Phytochemistry (2000) 55, 269-73
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) | 79.5 |
| 3 (CH2) | 44.1 |
| 4 (C) | 191.4 |
| 5 (C) | 153 |
| 6 (C) | 112.5 |
| 7 (C) | 157.9 |
| 8 (C) | 115.1 |
| 9 (C) | 159.5 |
| 10 (C) | 103.6 |
| 1' (C) | 131.1 |
| 2' (CH) | 113.6 |
| 3' (C) | 144.2 |
| 4' (C) | 144.8 |
| 5' (CH) | 115.5 |
| 6' (CH) | 119.1 |
| 6a (CH) | 98.5 |
| 6b (C) | 162 |
| 6c (C) | 68.9 |
| 6d (CH3) | 28.3 |
| 6e (CH3) | 28.6 |
| 7a (CH3) | 59.9 |
| 8a (CH2) | 22.8 |
| 8b (CH) | 122.6 |
| 8c (C) | 131.9 |
| 8d (CH3) | 26 |
| 8e (CH3) | 18 |
