Spektraris NMR
(12Z)-Labda-8(20),12,14-trien-3-one
Common Name: (12Z)-Labda-8(20),12,14-trien-3-one
Synonyms: (12Z)-Labda-8(20),12,14-trien-3-one
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-7-14(2)8-10-16-15(3)9-11-17-19(4,5)18(21)12-13-20(16,17)6/h7-8,16-17H,1,3,9-13H2,2,4-6H3/b14-8-/t16-,17-,20+/m0/s1
InChIKey: InChIKey=DJHJAXUNPSDCLR-XHMRWEFKSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Furlan, M., Lopes, M.N., Fernandes, J.B., Pirani, J.R. Phytochemistry (1996) 41, 1159-61
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) | 37.5 |
| 2 (CH2) | 34.5 |
| 3 (C) | 216 |
| 4 (C) | 47.6 |
| 5 (CH) | 55 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 37.4 |
| 8 (C) | 148.9 |
| 9 (CH) | 56.1 |
| 10 (C) | 39 |
| 11 (CH2) | 22.3 |
| 12 (CH) | 133.5 |
| 13 (C) | 131.8 |
| 14 (CH) | 130.8 |
| 15 (CH2) | 113.4 |
| 16 (CH3) | 19.6 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 25.8 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 13.9 |
