Spektraris NMR
Mandassidion
Common Name: Mandassidion
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)9-14-11(3)5-8-15(14)17/h13H,1,5-9H2,2-4H3
InChIKey: InChIKey=VALJTPGALJMVTL-UHFFFAOYSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J.J., Tan, N.H., Chen, Y.S., Pan, X.L., Zeng, G.Z., Han, H.J., Ji, C.J., Zhu, M.J. Helv Chim Acta (2009) 92, 1621-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 209 |
| 2 (CH2) | 31.5 |
| 3 (CH2) | 34.2 |
| 4 (C) | 171 |
| 5 (C) | 138.8 |
| 6 (CH2) | 27.6 |
| 7 (CH) | 45.1 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 41.5 |
| 10 (C) | 209.5 |
| 11 (C) | 146.3 |
| 12 (CH2) | 112.4 |
| 13 (CH3) | 18 |
| 14 (CH3) | 17.5 |
| 15 (CH3) | 30 |
