Spektraris NMR
Amoenolide K
Common Name: Amoenolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O7/c1-12-6-14(23)16-17(2,10-21)7-13(22)8-18(16,3)20(12)5-4-19(26-27-20)9-15(24)25-11-19/h13-14,16,21-23H,1,4-11H2,2-3H3/t13-,14-,16-,17+,18-,19-,20+/m0/s1
InChIKey: InChIKey=QTTVMNCLQMYBFN-GMEBVZIWSA-N
Formula: C20H30O7
Molecular Weight: 382.448775
Exact Mass: 382.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 1407-18
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 43.11 |
| 2 (CH) | 61.2 |
| 3 (CH2) | 48.58 |
| 4 (C) | 41.36 |
| 5 (CH) | 51.07 |
| 6 (CH) | 71.43 |
| 7 (CH2) | 44.27 |
| 8 (C) | 145.21 |
| 9 (C) | 86.64 |
| 10 (C) | 45.68 |
| 11 (CH2) | 19.77 |
| 12 (CH2) | 27.32 |
| 13 (C) | 84.3 |
| 14 (CH2) | 39.33 |
| 15 (C) | 174.7 |
| 16 (CH2) | 74.3 |
| 17 (CH2) | 114.72 |
| 18 (CH3) | 32.32 |
| 19 (CH2) | 67.8 |
| 20 (CH3) | 19.34 |
