Spektraris NMR
CHEMBL463611
Common Name: CHEMBL463611
Synonyms: CHEMBL463611
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-12(2)10-17(19-15(5)18)11-14(4)16-8-6-13(3)7-9-16/h6,10,17H,7-9,11H2,1-5H3/b16-14-
InChIKey: InChIKey=JDDQDMUSABHSGX-PEZBUJJGSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konig, G.M., Wright, A.D. J Nat Prod (1997) 60, 967-70
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 29.8 |
| 2 (CH) | 120.4 |
| 3 (C) | 134.1 |
| 4 (CH2) | 31.5 |
| 5 (CH2) | 26.9 |
| 6 (C) | 121.4 |
| 7 (C) | 131.6 |
| 8 (CH2) | 39.3 |
| 9 (CH) | 70.8 |
| 10 (CH) | 123.8 |
| 11 (C) | 136.6 |
| 12 (CH3) | 25.8 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 23.3 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.4 |
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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.