Spektraris NMR
Widdrol
Common Name: Widdrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1
InChIKey: InChIKey=BXGVVQADPFXGHD-LSDHHAIUSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nunez, Y.O., Salabarria, I.S., Collado, I.G., Hernandez-Galan, R. Phytochemistry (2007) 68, 2409-14
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Widdranes; 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) | 154.2 |
| 2 (CH) | 117.7 |
| 3 (CH2) | 39.8 |
| 4 (C) | 73 |
| 5 (CH2) | 38 |
| 6 (CH2) | 39.4 |
| 7 (C) | 39.8 |
| 8 (CH2) | 41.7 |
| 9 (CH2) | 18.6 |
| 10 (CH2) | 40 |
| 11 (C) | 36.8 |
| 12 (CH3) | 32 |
| 13 (CH3) | 32.9 |
| 14 (CH3) | 28.5 |
| 15 (CH3) | 26.7 |
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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.