Spektraris NMR
CHEMBL457306
Common Name: CHEMBL457306
Synonyms: CHEMBL457306
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-11(17)6-10-7-14(2)4-5-15(3,8-16)13(14)12(9)10/h10-13,16-17H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKey: InChIKey=NAKBMNLPWOICPI-CTTWBBHYSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.H., Wen, Z.H., Wang, S.K., Duh, C.Y. J Nat Prod (2008) 71, 619-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Capnellanes; 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) | 47.2 |
| 2 (CH2) | 36.2 |
| 3 (CH2) | 39.8 |
| 4 (C) | 53.6 |
| 5 (CH2) | 48.8 |
| 6 (CH) | 41.6 |
| 7 (CH2) | 39.7 |
| 8 (CH) | 75.5 |
| 9 (C) | 160.2 |
| 10 (CH) | 49.1 |
| 11 (CH) | 65.2 |
| 12 (CH2) | 105.9 |
| 13 (CH3) | 31.6 |
| 14 (CH3) | 25.7 |
| 15 (CH2) | 69.9 |
