Spektraris NMR
Isomyricanone
Common Name: Isomyricanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O5/c1-25-19-12-16-15(20(24)21(19)26-2)6-4-3-5-14(22)9-7-13-8-10-18(23)17(16)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3
InChIKey: InChIKey=OTVDBKXFPKEVBU-UHFFFAOYSA-N
Formula: C21H24O5
Molecular Weight: 356.413057
Exact Mass: 356.162374
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) | 126.7 |
| 2 (C) | 130.3 |
| 3 (CH) | 104.3 |
| 4 (C) | 150.1 |
| 5 (C) | 135.2 |
| 6 (C) | 148.5 |
| 7 (C) | 122.2 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 33.2 |
| 10 (CH2) | 20.8 |
| 11 (CH2) | 42.5 |
| 12 (C) | 212.7 |
| 13 (CH2) | 44.3 |
| 14 (CH2) | 24.9 |
| 15 (C) | 131.7 |
| 16 (CH) | 128.8 |
| 17 (CH) | 115.9 |
| 18 (C) | 151.2 |
| 19 (CH) | 130.5 |
| 4a (CH3) | 55.7 |
| 5a (CH3) | 60.7 |
