Spektraris NMR
Crotinsulactone
Common Name: Crotinsulactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O4/c1-10-6-7-14(2)11(4-5-12(17)15(14,3)19)16(10)8-13(18)20-9-16/h10-12,17,19H,4-9H2,1-3H3/t10-,11+,12-,14-,15+,16-/m1/s1
InChIKey: InChIKey=GUNAOIRHNFLPGN-NBBILAFTSA-N
Formula: C16H26O4
Molecular Weight: 282.375854
Exact Mass: 282.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Graikou, K., Aligiannis, N., Chinou, L., Skaltsounis, A.L., Tillequin, F.O., Litaudon, M. Helv Chim Acta (2005) 88, 2654-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 19.1 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 77.1 |
| 5 (C) | 43.1 |
| 6 (CH2) | 33.8 |
| 7 (CH2) | 28 |
| 8 (CH) | 44.3 |
| 9 (C) | 47.5 |
| 10 (CH) | 44.3 |
| 11 (CH2) | 41.3 |
| 12 (C) | 180.7 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 21.6 |
| 19 (CH3) | 17.4 |
| 20 (CH2) | 71.4 |
