Spektraris NMR
sinunorcaryophyllenol
Common Name: sinunorcaryophyllenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H22O2/c1-9-5-7-13(15)10(2)4-6-12-11(9)8-14(12,3)16/h4,11-13,15-16H,1,5-8H2,2-3H3/b10-4-/t11-,12-,13+,14-/m0/s1
InChIKey: InChIKey=RSIQTXGNWBKCNL-NLOZNAMHSA-N
Formula: C14H22O2
Molecular Weight: 222.323809
Exact Mass: 222.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y., Huang, H., Guo, Y.W. Nat Prod Res (2008) 22, 1359-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) | 53.9 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 125.1 |
| 4 (C) | 138.2 |
| 5 (CH) | 69.6 |
| 6 (CH2) | 34.1 |
| 7 (CH2) | 32.3 |
| 8 (C) | 153.2 |
| 9 (CH) | 38.7 |
| 10 (CH2) | 42.5 |
| 11 (C) | 70.3 |
| 13 (CH3) | 22.2 |
| 14 (CH3) | 15.6 |
| 15 (CH2) | 110.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.