Spektraris NMR
CHEMBL478585
Common Name: CHEMBL478585
Synonyms: CHEMBL478585
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-7-14(4)11-12-17(19-16(6)18)15(5)10-8-9-13(2)3/h7,9,11,17H,1,5,8,10,12H2,2-4,6H3/b14-11+
InChIKey: InChIKey=APGBIBLWIBJPQD-SDNWHVSQSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Salva, J. J Nat Prod (2001) 64, 401-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 111.3 |
| 2 (CH) | 141.2 |
| 3 (C) | 136.2 |
| 4 (CH) | 127.2 |
| 5 (CH2) | 32.2 |
| 6 (CH) | 76.1 |
| 7 (C) | 146.9 |
| 8 (CH2) | 32.1 |
| 9 (CH2) | 26.3 |
| 10 (CH) | 123.8 |
| 11 (C) | 132 |
| 12 (CH3) | 25.7 |
| 13 (CH3) | 17.7 |
| 14 (CH2) | 111.5 |
| 15 (CH3) | 11.9 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.2 |
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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.