Spektraris NMR
ZINC13298599
Common Name: ZINC13298599
Synonyms: ZINC13298599
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15+/m1/s1
InChIKey: InChIKey=QTGAEXCCAPTGLB-QDVCDFMTSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Economides, C., Adam, K.P. Phytochemistry (1998) 49, 859-62
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Humulanes; 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) | 40.3 |
| 2 (CH) | 125.7 |
| 3 (C) | 131.9 |
| 4 (CH2) | 36.6 |
| 5 (CH2) | 24.7 |
| 6 (CH) | 61.9 |
| 7 (C) | 63.2 |
| 8 (CH2) | 42.6 |
| 9 (CH) | 122.1 |
| 10 (CH) | 143.1 |
| 11 (C) | 36.5 |
| 12 (CH3) | 25.6 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 15 |
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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.