Spektraris NMR
Dimethyl isomyricanone
Common Name: Dimethyl isomyricanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O5/c1-25-20-12-10-15-9-11-16(24)7-5-6-8-17-18(19(20)13-15)14-21(26-2)23(28-4)22(17)27-3/h10,12-14H,5-9,11H2,1-4H3
InChIKey: InChIKey=WTJWRXMLADAKAJ-UHFFFAOYSA-N
Formula: C23H28O5
Molecular Weight: 384.466291
Exact Mass: 384.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakurai, N., Yaguchi, Y., Hirakawa, T., Nagai, M., Inoue, T. Phytochemistry (1991) 30, 3077-9
Species:
Notes: Family : Aromatics, Type : Biphenyl-cyclophanes, Group : Diarylheptanoids; 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) | 127.4 |
| 2 (C) | 130.1 |
| 3 (CH) | 109 |
| 4 (C) | 150.8 |
| 5 (C) | 133 |
| 6 (C) | 152.2 |
| 7 (C) | 132 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 27.8 |
| 10 (CH2) | 21.1 |
| 11 (CH2) | 42.6 |
| 12 (C) | 212.7 |
| 13 (CH2) | 44.5 |
| 14 (CH2) | 33.2 |
| 15 (C) | 130.1 |
| 16 (CH) | 128 |
| 17 (CH) | 111.8 |
| 18 (C) | 155.2 |
| 19 (CH) | 131.7 |
| 4a (CH3) | 55.6 |
| 5a (CH3) | 60.9 |
| 6a (CH3) | 60.5 |
| 18a (CH3) | 55.9 |
