Spektraris NMR
9,13-Epoxylabda-14-ene-6,19-dione
Common Name: 9,13-Epoxylabda-14-ene-6,19-dione
Synonyms: 9,13-Epoxylabda-14-ene-6,19-dione
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-6-18(4)10-11-20(23-18)14(2)12-15(22)16-17(3,13-21)8-7-9-19(16,20)5/h6,13-14,16H,1,7-12H2,2-5H3/t14-,16-,17+,18-,19-,20+/m0/s1
InChIKey: InChIKey=ZBZFTOPFHVOHAM-FTNYQUAISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Cambron, J.I., del Rio, R.E., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Joseph-Nathan, P. J Nat Prod (2000) 63, 226-9
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) | 37.7 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 34.4 |
| 4 (C) | 49.1 |
| 5 (CH) | 60.7 |
| 6 (C) | 213 |
| 7 (CH2) | 47.1 |
| 8 (CH) | 45.4 |
| 9 (C) | 90.7 |
| 10 (C) | 47.8 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 32.7 |
| 13 (C) | 83.8 |
| 14 (CH) | 144.2 |
| 15 (CH2) | 111.5 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 18.8 |
| 18 (CH3) | 24.8 |
| 19 (CH) | 208.6 |
| 20 (CH3) | 18.7 |
