Spektraris NMR
2-Methoxy-calamenene-l4-carboxylic acid
Common Name: 2-Methoxy-calamenene-l4-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12?/m0/s1
InChIKey: InChIKey=TZLBIEKHFHDXHJ-PXYINDEMSA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morimoto, M., Cantrell, C.L., Libous-Bailey, L., Duke, S.O. Phytochemistry (2009) 70, 69-74
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 132.6 |
| 2 (CH) | 115.9 |
| 3 (C) | 152.3 |
| 4 (C) | 123.5 |
| 5 (CH) | 131.4 |
| 6 (C) | 132.7 |
| 7 (CH) | 43 |
| 8 (CH2) | 21.1 |
| 9 (CH2) | 24.8 |
| 10 (CH) | 45.3 |
| 11 (CH) | 31.7 |
| 12 (CH3) | 21.7 |
| 13 (CH3) | 17.8 |
| 14 (CH3) | 16.2 |
| 15 (C) | 176.5 |
| 3a (CH3) | 52.6 |
