Spektraris NMR
Lingshuiperoxide
Common Name: Lingshuiperoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-9-11-5-7-15(3,20-19-11)14(9,2)6-4-10-8-12(16)18-13(10)17/h5,7-9,11-12,16H,4,6H2,1-3H3/t9-,11-,12?,14+,15-/m1/s1
InChIKey: InChIKey=JUWDFVVQRRCPAB-GSDQLGENSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, X.C., Li, J., Li, Z.Y., Shi, L., Guo, Y.W. J Nat Prod (2008) 71, 1399-403
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Friedocyclofarnesanes; 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) | 81 |
| 2 (CH) | 137.9 |
| 3 (CH) | 130.1 |
| 4 (CH) | 76.3 |
| 5 (CH) | 38.4 |
| 6 (C) | 40.7 |
| 7 (CH2) | 35.1 |
| 8 (CH2) | 20.9 |
| 9 (C) | 138.9 |
| 10 (CH) | 143 |
| 11 (CH) | 96.7 |
| 12 (CH3) | 16.1 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 15.5 |
| 15 (C) | 171.4 |
