Spektraris NMR
1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)pentane-1,4-dione
![1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)pentane-1,4-dione](/nmr/static/nmr/svg/11787.svg)
Common Name: 1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)pentane-1,4-dione
Synonyms: 1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)pentane-1,4-dione
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-16(2)7-12-21-26-20(13-14-28(4,5)34-26)24(31)23(27(21)33-6)25(32)22(15-17(3)29)18-8-10-19(30)11-9-18/h7-11,13-14,22,30-31H,12,15H2,1-6H3
InChIKey: InChIKey=ADTRUWCISHTKLP-UHFFFAOYSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
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) | 131.1 |
| 2 (C) | 160.4 |
| 3 (C) | 108 |
| 4 (C) | 154.7 |
| 5 (C) | 115.1 |
| 6 (C) | 158.6 |
| α (C) | 204.4 |
| β (CH) | 49.7 |
| 1' (C) | 105.8 |
| 2' (CH) | 129.3 |
| 3' (CH) | 115.5 |
| 4' (C) | 158.2 |
| 5' (CH) | 115.5 |
| 6' (CH) | 129.3 |
| 2'' (C) | 77.7 |
| 3'' (CH) | 126.4 |
| 4'' (CH) | 116 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.3 |
| 1''' (CH2) | 47.7 |
| 2''' (C) | 207.6 |
| 3''' (CH3) | 30 |
| 2a (CH3) | 63.4 |
| 3a (CH2) | 22.3 |
| 3b (CH) | 123.2 |
| 3c (C) | 130.9 |
| 3d (CH3) | 25.7 |
| 3e (CH3) | 17.9 |
