Spektraris NMR
6-[(4-Hydroxyphenyl)acetyl]-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5-ol
![6-[(4-Hydroxyphenyl)acetyl]-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5-ol](/nmr/static/nmr/svg/11786.svg)
Common Name: 6-[(4-Hydroxyphenyl)acetyl]-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5-ol
Synonyms: 6-[(4-Hydroxyphenyl)acetyl]-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5-ol
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-15(2)6-11-19-23-18(12-13-25(3,4)30-23)22(28)21(24(19)29-5)20(27)14-16-7-9-17(26)10-8-16/h6-10,12-13,26,28H,11,14H2,1-5H3
InChIKey: InChIKey=UWABGJHKEXTSMU-UHFFFAOYSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Magalhaes, A.F., Tozzi, A.M., Magalha s, E.G., de Souza Moraes, V.R. Phytochemistry (2001) 57, 77-89
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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) | 131.2 |
| 2 (C) | 160.6 |
| 3 (C) | 108.5 |
| 4 (C) | 154.4 |
| 5 (C) | 115 |
| 6 (C) | 158.8 |
| α (C) | 203.6 |
| β (CH2) | 47.6 |
| 1' (C) | 106 |
| 2' (CH) | 130.9 |
| 3' (CH) | 115.3 |
| 4' (C) | 158.5 |
| 5' (CH) | 115.3 |
| 6' (CH) | 130.9 |
| 2'' (C) | 77.9 |
| 3'' (CH) | 126.7 |
| 4'' (CH) | 116 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.3 |
| 2a (CH3) | 63 |
| 3a (CH2) | 22.3 |
| 3b (CH) | 123.1 |
| 3c (C) | 127.5 |
| 3d (CH3) | 25.7 |
| 3e (CH3) | 17.9 |
