Spektraris NMR
Cubebenone
Common Name: Cubebenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-8(2)11-6-5-10(4)15-12(16)7-9(3)13(15)14(11)15/h8-11,13-14H,5-7H2,1-4H3/t9?,10-,11+,13-,14-,15?/m0/s1
InChIKey: InChIKey=GIVBFZFUBSIYPU-VIVPQSBSSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McPhail, K.L., Davies-Coleman, M.T., Starmer, J. J Nat Prod (2001) 64, 1183-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cubebanes; 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) | 25.3 |
| 2 (CH2) | 30.6 |
| 3 (CH2) | 26.7 |
| 4 (CH) | 44.7 |
| 5 (CH) | 37.6 |
| 6 (CH) | 29.6 |
| 7 (CH2) | 40.9 |
| 8 (C) | 215.9 |
| 9 (C) | 45 |
| 10 (CH) | 27.1 |
| 11 (CH) | 33.6 |
| 12 (CH3) | 19.9 |
| 13 (CH3) | 20.2 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 18.2 |
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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.