Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O3/c1-9-8-14-16(10(9)2)11(3)13(12(4)17(14)19)6-7-15(18)20-5/h8,19H,2,6-7H2,1,3-5H3
InChIKey: InChIKey=XGVNMKUHOHOHDB-UHFFFAOYSA-N
Formula: C17H20O3
Molecular Weight: 272.33954
Exact Mass: 272.141245
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - McMorris, T.C., Moon, S.S., Kelner, M.J. J Nat Prod (2003) 66, 310-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudalanes; 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 (C) | 151.1 |
| 2 (C) | 131.8 |
| 3 (C) | 125.12 |
| 4 (CH2) | 63.4 |
| 5 (CH2) | 28.6 |
| 6 (C) | 132 |
| 7 (C) | 124.9 |
| 8 (C) | 145.1 |
| 9 (C) | 128.4 |
| 10 (CH) | 125.09 |
| 11 (C) | 136.4 |
| 12 (CH2) | 111.5 |
| 13 (CH3) | 11.6 |
| 14 (CH3) | 11.4 |
| 15 (CH3) | 14.9 |
| 16 (C) | 171.7 |
| 16a (CH3) | 19.7 |
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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.