Spektraris NMR
( )-(5S,6S,10S)-iso-β-elemene
Common Name: ( )-(5S,6S,10S)-iso-β-elemene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-7-15(6)10-8-9-13(11(2)3)14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14-,15-/m1/s1
InChIKey: InChIKey=GJWVPRIGTFVAQW-RBSFLKMASA-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 : Isoelemanes; 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) | 150.8 |
| 2 (CH2) | 110.1 |
| 3 (CH2) | 114.9 |
| 4 (C) | 145.2 |
| 5 (CH) | 56.3 |
| 6 (CH) | 45.3 |
| 7 (CH2) | 33.9 |
| 8 (CH2) | 22.3 |
| 9 (CH2) | 40.3 |
| 10 (C) | 40.7 |
| 11 (C) | 149.7 |
| 12 (CH2) | 111.5 |
| 13 (CH3) | 20 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 24.3 |
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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.