Spektraris NMR
Isopolygonal
Common Name: Isopolygonal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H22O2/c1-13(2)5-4-6-14(3)8-10(9-15)11(16)7-12(13)14/h8-9,11-12,16H,4-7H2,1-3H3/t11?,12-,14+/m0/s1
InChIKey: InChIKey=WJDOMTAMQVNRCX-VBVNFKHJSA-N
Formula: C14H22O2
Molecular Weight: 222.323809
Exact Mass: 222.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Sato, T., Mura, I., Asakawa, Y. Phytochemistry (1985) 24, 1521-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) | 38 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 27 |
| 7 (CH) | 67.7 |
| 8 (C) | 139.1 |
| 9 (CH) | 164.5 |
| 10 (C) | 37.7 |
| 11 (CH) | 196.2 |
| 12 (CH3) | 32.7 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 20.1 |
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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.