Spektraris NMR
Compactol
Common Name: Compactol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-6-18(4)11-8-14-19(5)10-7-9-17(2,3)15(19)12-16(21)20(14,22)13-18/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15+,16+,18+,19-,20-/m1/s1
InChIKey: InChIKey=MHLUYFQRMRBWBH-ZHAUUAPESA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pinto, A.C., Borges, C. Phytochemistry (1983) 22, 2011
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 39.4 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 27.2 |
| 7 (CH) | 78.2 |
| 8 (C) | 74.1 |
| 9 (CH) | 55.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 16.8 |
| 12 (CH2) | 37.8 |
| 13 (C) | 36 |
| 14 (CH2) | 47.1 |
| 15 (CH) | 151.2 |
| 16 (CH2) | 108.5 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 15.5 |
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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.