Spektraris NMR
Myricanene A
Common Name: Myricanene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O4/c1-24-20-17-13-15(19(23)21(20)25-2)9-7-5-3-4-6-8-14-10-11-18(22)16(17)12-14/h3-4,10-13,22-23H,5-9H2,1-2H3/b4-3+
InChIKey: InChIKey=DERKWAJDBPHDET-ONEGZZNKSA-N
Formula: C21H24O4
Molecular Weight: 340.413652
Exact Mass: 340.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Tao, J., Ueda, K., Yoshikawa, M. Chem Pharm Bull (2002) 50, 208-15
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) | 124.7 |
| 2 (C) | 123.9 |
| 3 (C) | 145.5 |
| 4 (C) | 138.3 |
| 5 (C) | 146.9 |
| 6 (C) | 124.6 |
| 7 (CH2) | 29.3 |
| 8 (CH2) | 25 |
| 9 (CH2) | 31.4 |
| 10 (CH) | 134.2 |
| 11 (CH) | 132.8 |
| 12 (CH2) | 35.2 |
| 13 (CH2) | 33.5 |
| 14 (C) | 133.2 |
| 15 (CH) | 128.7 |
| 16 (CH) | 116 |
| 17 (C) | 151.5 |
| 18 (CH) | 135.5 |
| 19 (CH) | 130 |
| 3a (CH3) | 61.7 |
| 4a (CH3) | 61.5 |
