Spektraris NMR
{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
![{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone](/nmr/static/nmr/svg/5369.svg)
Common Name: {3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
Synonyms: {3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
CAS Registry Number:
InChI: InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+
InChIKey: InChIKey=ZAIQNYMNZNXUAF-FOWTUZBSSA-N
Formula: C23H26O4
Molecular Weight: 366.451005
Exact Mass: 366.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. Planta Med (2002) 68, 49-54
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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 |
|---|---|
| 1 (C) | 104.8 |
| 2 (C) | 161.1 |
| 3 (C) | 106.8 |
| 4 (C) | 163 |
| 5 (CH) | 96.2 |
| 6 (C) | 159.7 |
| 7 (CH2) | 21.8 |
| 8 (CH) | 121.8 |
| 9 (C) | 139.1 |
| 10 (CH2) | 39.9 |
| 11 (CH2) | 26.6 |
| 12 (CH) | 124 |
| 13 (C) | 132.2 |
| 14 (CH3) | 17.9 |
| 1' (C) | 140.5 |
| 2' (CH) | 129.1 |
| 3' (CH) | 128.1 |
| 4' (CH) | 132.2 |
| 5' (CH) | 128.1 |
| 6' (CH) | 129.1 |
| 7' (C) | 198.2 |
| 9a (CH3) | 16.4 |
| 13a (CH3) | 25.8 |
