Spektraris NMR
(12E)-Labda-7,12,14-trien-20-al
Common Name: (12E)-Labda-7,12,14-trien-20-al
Synonyms: (12E)-Labda-7,12,14-trien-20-al
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-6-15(2)8-10-17-16(14-21)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8-9,14,17-18H,1,7,10-13H2,2-5H3/b15-8+/t17-,18-,20+/m0/s1
InChIKey: InChIKey=BEOWFWZWDOHYTG-KQYTWQGKSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran, S., Petsom, A., Sommit, D., Vilaivan, T. Phytochemistry (1999) 50, 449-53
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) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 32.9 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 151.8 |
| 8 (C) | 143.4 |
| 9 (CH) | 49.4 |
| 10 (C) | 36.7 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 133.8 |
| 13 (C) | 132.7 |
| 14 (CH) | 141.8 |
| 15 (CH2) | 109.8 |
| 16 (CH3) | 11.8 |
| 17 (CH) | 194.3 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.7 |
