Spektraris NMR
CHEMBL502007
Common Name: CHEMBL502007
Synonyms: CHEMBL502007
CAS Registry Number:
InChI: InChI=1S/C18H30O2/c1-14(2)18(20)13-12-16(4)9-6-8-15(3)10-7-11-17(5)19/h9-10,18,20H,1,6-8,11-13H2,2-5H3/b15-10+,16-9+/t18-/m1/s1
InChIKey: InChIKey=KUTNIFBDXANLKK-CUAZYIIYSA-N
Formula: C18H30O2
Molecular Weight: 278.430279
Exact Mass: 278.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reddy, P., Urban, S. J Nat Prod (2008) 71, 1441-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH3) | 29.8 |
| 2 (C) | 208.3 |
| 3 (CH2) | 43.9 |
| 4 (CH2) | 22.6 |
| 5 (CH) | 123 |
| 6 (C) | 135.8 |
| 7 (CH2) | 39.8 |
| 8 (CH2) | 26.5 |
| 9 (CH) | 124.8 |
| 10 (C) | 136.6 |
| 11 (CH2) | 35.9 |
| 12 (CH2) | 33.2 |
| 13 (CH) | 75.8 |
| 14 (C) | 147.8 |
| 15 (CH3) | 18 |
| 16 (CH2) | 111.3 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 16.1 |
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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.