Spektraris NMR
Iso-α-humulene
Common Name: Iso-α-humulene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-13-8-5-6-11-15(3,4)12-14(2)10-7-9-13/h6,9,11-12H,5,7-8,10H2,1-4H3/b11-6+,13-9+,14-12+
InChIKey: InChIKey=RTIZXJCGCGLKCH-GXMLAKGOSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Hackl, T., Konig, W.A., Muhle, H. Phytochemistry (2004) 65, 2261-75
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isohumulanes; 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 (CH) | 140.3 |
| 2 (CH) | 130 |
| 3 (CH2) | 42.2 |
| 4 (CH2) | 27.6 |
| 5 (C) | 128 |
| 6 (CH) | 132 |
| 7 (CH2) | 41.6 |
| 8 (CH2) | 30.3 |
| 9 (C) | 125 |
| 10 (CH) | 141.5 |
| 11 (C) | 38.5 |
| 12 (CH3) | 28.4 |
| 13 (CH3) | 28.4 |
| 14 (CH3) | 15.4 |
| 15 (CH3) | 16.6 |
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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.