Spektraris NMR
Obtusadione
Common Name: Obtusadione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)14-11-20(12-15(14)21)17(22)8-7-16-18(3,4)9-6-10-19(16,20)5/h11,13,16H,6-10,12H2,1-5H3/t16-,19-,20-/m0/s1
InChIKey: InChIKey=SXAMVLLELNWDFC-VDGAXYAQSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, H.C. Chem Pharm Bull (2004) 52, 764-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 33.7 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.6 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 39 |
| 8 (C) | 208.8 |
| 9 (C) | 67.8 |
| 10 (C) | 44 |
| 11 (CH2) | 37.9 |
| 12 (C) | 207.3 |
| 13 (C) | 153.3 |
| 14 (CH) | 152.3 |
| 15 (CH) | 24.9 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17.6 |
