Spektraris NMR
Bisabola-1,3,5,7-tetraene
Common Name: Bisabola-1,3,5,7-tetraene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h7-12H,5-6H2,1-4H3/b14-7+
InChIKey: InChIKey=YKWOHCWVJMGYOF-VGOFMYFVSA-N
Formula: C15H22
Molecular Weight: 202.335735
Exact Mass: 202.172151
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Adio, A.M., Konig, W.A. Phytochemistry (2005) 66, 599-609
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 126.3 |
| 2 (CH) | 129.5 |
| 3 (C) | 136.1 |
| 4 (CH) | 129.5 |
| 5 (CH) | 126.3 |
| 6 (C) | 141.8 |
| 7 (C) | 134.7 |
| 8 (CH) | 128 |
| 9 (CH2) | 27.3 |
| 10 (CH2) | 39.4 |
| 11 (CH) | 28.3 |
| 12 (CH3) | 23 |
| 13 (CH3) | 23 |
| 14 (CH3) | 16.2 |
| 15 (CH3) | 21.3 |
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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.