Spektraris NMR
2-Hydroxy-calamenene-14-carboxylic acid methyl ester
Common Name: 2-Hydroxy-calamenene-14-carboxylic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(18)19-4)14-8-15(17)10(3)7-13(11)14/h7-9,11-12,17H,5-6H2,1-4H3/t11-,12?/m0/s1
InChIKey: InChIKey=AHRBTJNKTOINET-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) | 132.3 |
| 2 (CH) | 115.6 |
| 3 (C) | 152 |
| 4 (C) | 123.2 |
| 5 (CH) | 131.1 |
| 6 (C) | 132.4 |
| 7 (CH) | 42.7 |
| 8 (CH2) | 20.8 |
| 9 (CH2) | 24.5 |
| 10 (CH) | 45 |
| 11 (CH) | 31.4 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 17.5 |
| 14 (CH3) | 15.9 |
| 15 (C) | 176.2 |
| 15a (CH3) | 52.3 |
