Spektraris NMR
2-Acetoxy-3a,4a-epoxy-3,4-dihydrokauniolide
Common Name: 2-Acetoxy-3a,4a-epoxy-3,4-dihydrokauniolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O5/c1-7-5-6-10-8(2)16(19)21-13(10)12-11(7)14(20-9(3)18)15-17(12,4)22-15/h10,12-15H,2,5-6H2,1,3-4H3/t10-,12-,13-,14-,15+,17-/m0/s1
InChIKey: InChIKey=OPZDJIAATYZTHJ-BBDFKTPWSA-N
Formula: C17H20O5
Molecular Weight: 304.33835
Exact Mass: 304.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Toscano, R.A., Maldonado, E. Phytochemistry (1998) 49, 1085-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 132.2 |
| 2 (CH) | 74.4 |
| 3 (CH) | 64.1 |
| 4 (C) | 64.7 |
| 5 (CH) | 52 |
| 6 (CH) | 80.9 |
| 7 (CH) | 54.1 |
| 8 (CH2) | 24.9 |
| 9 (CH2) | 34.9 |
| 10 (C) | 142.6 |
| 11 (C) | 138.9 |
| 12 (C) | 169 |
| 13 (CH2) | 118.2 |
| 14 (CH3) | 22.3 |
| 15 (CH3) | 19.2 |
| 2a (C) | 170.9 |
| 2b (CH3) | 20.7 |
