Spektraris NMR
Amoenolide K triacetate
Common Name: Amoenolide K triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-15-9-20(34-18(4)29)22-23(5,13-31-16(2)27)10-19(33-17(3)28)11-24(22,6)26(15)8-7-25(35-36-26)12-21(30)32-14-25/h19-20,22H,1,7-14H2,2-6H3/t19-,20-,22-,23+,24-,25-,26+/m0/s1
InChIKey: InChIKey=YLPOSCSAKQQYET-BHVOINSMSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
NMR Solvent: CD3COCD3
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) | 38.52 |
| 2 (CH) | 72.8 |
| 3 (CH2) | 43.31 |
| 4 (C) | 39.47 |
| 5 (CH) | 48.55 |
| 6 (CH) | 74.29 |
| 7 (CH2) | 39.81 |
| 8 (C) | 142.78 |
| 9 (C) | 86.5 |
| 10 (C) | 45.74 |
| 11 (CH2) | 19.74 |
| 12 (CH2) | 27.13 |
| 13 (C) | 84.58 |
| 14 (CH2) | 39.24 |
| 15 (C) | 174.45 |
| 16 (CH2) | 74.72 |
| 17 (CH2) | 116.44 |
| 18 (CH3) | 31.45 |
| 19 (CH2) | 72.8 |
| 20 (CH3) | 18.97 |
| 2a (C) | 170.06 |
| 2b (CH3) | 20.63 |
| 6a (C) | 110.4 |
| 6b (CH3) | 21.2 |
| 19a (C) | 171.01 |
| 19b (CH3) | 21.7 |
