Spektraris NMR
Myricanone
Common Name: Myricanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3
InChIKey: InChIKey=ZTSNTUQTNQSIDC-UHFFFAOYSA-N
Formula: C21H24O5
Molecular Weight: 356.413057
Exact Mass: 356.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Yamazaki, M., Matsuo, K., Asanuma, Y., Kubo, M. Biol Pharm Bull (2001) 24, 259-63
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) | 123.1 |
| 2 (C) | 123.2 |
| 3 (C) | 148 |
| 4 (C) | 139 |
| 5 (C) | 146.2 |
| 6 (C) | 125.8 |
| 7 (CH2) | 27 |
| 8 (CH2) | 22 |
| 9 (CH2) | 24.7 |
| 10 (CH2) | 42.7 |
| 11 (C) | 213.5 |
| 12 (CH2) | 46.1 |
| 13 (CH2) | 28.9 |
| 14 (C) | 129.1 |
| 15 (CH) | 132.6 |
| 16 (CH) | 117 |
| 17 (C) | 152 |
| 18 (CH) | 129.1 |
| 19 (CH) | 129.1 |
| 3a (CH3) | 61.4 |
| 4a (CH3) | 61.5 |
