Spektraris NMR
Brasila-5,10-diene
Common Name: Brasila-5,10-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h11,14H,1,6-9H2,2-5H3/t11-,14+/m0/s1
InChIKey: InChIKey=KUBSAWBFAOYMLQ-SMDDNHRTSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Melching, S., Konig, W.A. Phytochemistry (1999) 51, 517-23
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Brasilanes; 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) | 47.02 |
| 2 (CH2) | 40.81 |
| 3 (C) | 32.38 |
| 4 (CH2) | 43.37 |
| 5 (C) | 137.94 |
| 6 (C) | 146.42 |
| 7 (CH2) | 28.7 |
| 8 (CH2) | 33.38 |
| 9 (CH) | 41.23 |
| 10 (C) | 129.64 |
| 11 (CH3) | 22.3 |
| 12 (CH2) | 112.61 |
| 13 (CH3) | 26.11 |
| 14 (CH3) | 30.17 |
| 15 (CH3) | 18.29 |
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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.