Spektraris NMR
92466-31-4
Common Name: 92466-31-4
Synonyms: 92466-31-4
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-4-5-11(9(2)14(16)17)12-10(8)6-7-15(3)13(12)18-15/h8,10-13H,2,4-7H2,1,3H3,(H,16,17)/t8-,10+,11+,12+,13+,15-/m1/s1
InChIKey: InChIKey=CQNNGKUJKJXDCO-IEFGFUDGSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brown, G.D., Liang, G.Y., Sy, L.K. Phytochemistry (2003) 64, 303-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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 (CH) | 39.9 |
| 2 (CH2) | 22 |
| 3 (CH2) | 24.8 |
| 4 (C) | 57.7 |
| 5 (CH) | 59.3 |
| 6 (CH) | 38.8 |
| 7 (CH) | 41.3 |
| 8 (CH2) | 27.2 |
| 9 (CH2) | 34.9 |
| 10 (CH) | 29.5 |
| 11 (C) | 141.9 |
| 12 (C) | 170.4 |
| 13 (CH2) | 126.7 |
| 14 (CH3) | 23.5 |
| 15 (CH3) | 19.1 |
