Spektraris NMR
2-Acetoxy-calamenene-14-carboxylic acid
Common Name: 2-Acetoxy-calamenene-14-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O4/c1-9(2)12-5-6-13(17(19)20)15-8-16(21-11(4)18)10(3)7-14(12)15/h7-9,12-13H,5-6H2,1-4H3,(H,19,20)/t12-,13?/m0/s1
InChIKey: InChIKey=IWPYBYYIKMWWGA-UEWDXFNNSA-N
Formula: C17H22O4
Molecular Weight: 290.354827
Exact Mass: 290.151809
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 |
| 2 (CH) | 123 |
| 3 (C) | 147.1 |
| 4 (C) | 128.8 |
| 5 (CH) | 131.2 |
| 6 (C) | 138.6 |
| 7 (CH) | 43 |
| 8 (CH2) | 21 |
| 9 (CH2) | 24 |
| 10 (CH) | 44.4 |
| 11 (CH) | 31.1 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 17.5 |
| 14 (CH3) | 16.3 |
| 15 (C) | 180.7 |
| 3a (C) | 169.7 |
| 3b (CH3) | 20.4 |
