Spektraris NMR
(12E)-15,16-Epoxylabda-8(20),12,14-trien-16-one
Common Name: (12E)-15,16-Epoxylabda-8(20),12,14-trien-16-one
Synonyms: (12E)-15,16-Epoxylabda-8(20),12,14-trien-16-one
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7,10,13,16-17H,1,5-6,8-9,11-12H2,2-4H3/b15-7+/t16-,17-,20+/m0/s1
InChIKey: InChIKey=JEIWGTDOPSTLQK-OFWUXJPWSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boukouvalas, J., Wang, J.X., Marion, O. Tetrahedron Lett (2007) 48, 7747-50
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) | 39.3 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.57 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 37.8 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.6 |
| 11 (CH2) | 25.9 |
| 12 (CH) | 145.3 |
| 13 (C) | 125.5 |
| 14 (CH) | 105.1 |
| 15 (CH) | 145.1 |
| 16 (C) | 168 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 33.55 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.4 |
