Spektraris NMR
CHEMBL485783
Common Name: CHEMBL485783
Synonyms: CHEMBL485783
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-9(8-16)13-12(18)7-15(13,4)10-5-14(2,3)6-11(10)17/h10-12,16-18H,5-8H2,1-4H3/b13-9-/t10-,11-,12-,15+/m0/s1
InChIKey: InChIKey=WXLMZSSKFKIKQI-POOLVOQKSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - McMorris, T.C., Lira, R., Gantzel, P.K., Kelner, M.J., Dawe, R. J Nat Prod (2000) 63, 1557-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (CH2) | 76.2 |
| 2 (C) | 132.4 |
| 3 (C) | 147.4 |
| 4 (CH) | 67.7 |
| 5 (CH2) | 44.9 |
| 6 (C) | 49.8 |
| 7 (CH) | 56 |
| 8 (CH2) | 40.2 |
| 9 (C) | 37.3 |
| 10 (CH2) | 52.2 |
| 11 (CH) | 63.1 |
| 12 (CH3) | 15.2 |
| 13 (CH3) | 28 |
| 14 (CH3) | 30.1 |
| 15 (CH3) | 31.1 |
