Spektraris NMR
CHEMBL458584
Common Name: CHEMBL458584
Synonyms: CHEMBL458584
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-10-13(19-11(2)18)8-12-9-17(5)7-6-16(3,4)15(17)14(10)12/h12-15H,1,6-9H2,2-5H3/t12-,13-,14-,15-,17-/m0/s1
InChIKey: InChIKey=IHWUYFCEAFFNMA-BWJWTDLKSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
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) | 43.9 |
| 2 (CH2) | 41.7 |
| 3 (CH2) | 40.9 |
| 4 (C) | 53.6 |
| 5 (CH2) | 48.4 |
| 6 (CH) | 42.6 |
| 7 (CH2) | 36.3 |
| 8 (CH) | 76.2 |
| 9 (C) | 156.3 |
| 10 (CH) | 49.5 |
| 11 (CH) | 67.7 |
| 12 (CH2) | 108.6 |
| 13 (CH3) | 31.6 |
| 14 (CH3) | 30.2 |
| 15 (CH3) | 25.5 |
| 8a (C) | 171.9 |
| 8b (CH3) | 21.4 |
