Spektraris NMR
ZINC14452266
Common Name: ZINC14452266
Synonyms: ZINC14452266
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-10-6-5-7-15(3)9-16(18-4)13(8-12(10)15)11(2)14(17)19-16/h12H,1,5-9H2,2-4H3/t12-,15-,16-/m0/s1
InChIKey: InChIKey=JYNGEEVMOBHTOS-RCBQFDQVSA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Chen, C.Y., Kuo, Y.H., Shen, Y.C. Chem Biodiversity (2009) 6, 1266-72
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 42.6 |
| 2 (CH2) | 23.2 |
| 3 (CH2) | 36.4 |
| 4 (C) | 148.5 |
| 5 (CH) | 41.5 |
| 6 (CH2) | 24 |
| 7 (C) | 156.8 |
| 8 (C) | 107 |
| 9 (CH2) | 50.4 |
| 10 (C) | 34.8 |
| 11 (C) | 125.9 |
| 12 (C) | 171.8 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 20.9 |
| 15 (CH2) | 107.4 |
| 8a (CH3) | 50.5 |
