Spektraris NMR
Cacalone
Common Name: Cacalone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m0/s1
InChIKey: InChIKey=VNNQNPHIASWXBS-VXJOIVPMSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Inman, W.D., Luo, J., Jolad, S.D., King, S.R., Cooper, R. J Nat Prod (1999) 62, 1088-92
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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 (CH2) | 20.7 |
| 2 (CH2) | 15.6 |
| 3 (CH2) | 30.1 |
| 4 (CH) | 27.2 |
| 5 (C) | 161.6 |
| 6 (C) | 70.5 |
| 7 (C) | 140.4 |
| 8 (C) | 145.2 |
| 9 (C) | 175.1 |
| 10 (C) | 130.6 |
| 11 (C) | 120.3 |
| 12 (CH) | 144.3 |
| 13 (CH3) | 9 |
| 14 (CH3) | 25.7 |
| 15 (CH3) | 20.7 |
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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.