Spektraris NMR
2-Hydroxy-calamenene-l4-carboxylic acid
Common Name: 2-Hydroxy-calamenene-l4-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8(2)10-4-5-11(15(17)18)13-7-14(16)9(3)6-12(10)13/h6-8,10-11,16H,4-5H2,1-3H3,(H,17,18)/t10-,11?/m0/s1
InChIKey: InChIKey=KNOBWLZFGSJVHF-VUWPPUDQSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
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 |
| 2 (CH) | 116 |
| 3 (C) | 152.1 |
| 4 (C) | 123.8 |
| 5 (CH) | 131.5 |
| 6 (C) | 133 |
| 7 (CH) | 43.1 |
| 8 (CH2) | 21.2 |
| 9 (CH2) | 24.5 |
| 10 (CH) | 45 |
| 11 (CH) | 31.6 |
| 12 (CH3) | 21.8 |
| 13 (CH3) | 18 |
| 14 (CH3) | 15.7 |
| 15 (C) | 181.6 |
