Spektraris NMR
2-Methoxy-calamenene-l 4-carboxylic acid methyl ester
Common Name: 2-Methoxy-calamenene-l 4-carboxylic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-10(2)12-6-7-13(17(18)20-5)15-9-16(19-4)11(3)8-14(12)15/h8-10,12-13H,6-7H2,1-5H3/t12-,13?/m0/s1
InChIKey: InChIKey=ZXEWQASLGANCTL-UEWDXFNNSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
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) | 132.29 |
| 2 (CH) | 110.9 |
| 3 (C) | 155.6 |
| 4 (C) | 125.5 |
| 5 (CH) | 130.7 |
| 6 (C) | 132.31 |
| 7 (CH) | 42.7 |
| 8 (CH2) | 20.6 |
| 9 (CH2) | 24.7 |
| 10 (CH) | 45.3 |
| 11 (CH) | 31.3 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 17.4 |
| 14 (CH3) | 16.3 |
| 15 (C) | 175.5 |
| 3a (CH3) | 52.1 |
| 15a (CH3) | 55.4 |
