Spektraris NMR
2-(2,6-Dihydroxyphenyl)-7,7-dimethyl-9-(3-methyl-2-butenyl)-10-methoxy-2H,7H-1,8-dioxaanthracene-4(3H)-one
Common Name: 2-(2,6-Dihydroxyphenyl)-7,7-dimethyl-9-(3-methyl-2-butenyl)-10-methoxy-2H,7H-1,8-dioxaanthracene-4(3H)-one
Synonyms: 2-(2,6-Dihydroxyphenyl)-7,7-dimethyl-9-(3-methyl-2-butenyl)-10-methoxy-2H,7H-1,8-dioxaanthracene-4(3H)-one
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-14(2)9-10-15-23-16(11-12-26(3,4)32-23)24(30-5)22-19(29)13-20(31-25(15)22)21-17(27)7-6-8-18(21)28/h6-9,11-12,20,27-28H,10,13H2,1-5H3
InChIKey: InChIKey=LCPWCSVTOIPOLU-UHFFFAOYSA-N
Formula: C26H28O6
Molecular Weight: 436.497904
Exact Mass: 436.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - P.G. Waterman, E.N. Mahmoud Phytochemistry (1987) 26, 1189
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) | 76.2 |
| 3 (CH2) | 43.6 |
| 4 (C) | 191.1 |
| 5 (C) | 155.8 |
| 6 (C) | 109.1 |
| 7 (C) | 155.4 |
| 8 (C) | 109 |
| 9 (C) | 157 |
| 10 (C) | 109.5 |
| 1' (C) | 110.5 |
| 2' (C) | 154.7 |
| 3' (CH) | 108.6 |
| 4' (CH) | 130.7 |
| 5' (CH) | 108.6 |
| 6' (C) | 154.7 |
| 5a (CH3) | 61.5 |
| 6a (CH) | 116.1 |
| 6b (CH) | 128.6 |
| 6c (C) | 77.8 |
| 6d (CH3) | 28.1 |
| 6e (CH3) | 28.3 |
| 8a (CH2) | 22 |
| 8b (CH) | 122.9 |
| 8c (C) | 132.6 |
| 8d (CH3) | 17.7 |
| 8e (CH3) | 25.6 |
