Spektraris NMR
(12E)-Labda-7,12,14-triene
Common Name: (12E)-Labda-7,12,14-triene
Synonyms: (12E)-Labda-7,12,14-triene
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9-10,17-18H,1,8,11-14H2,2-6H3/b15-9+/t17-,18-,20+/m0/s1
InChIKey: InChIKey=AAWKCAAKYFTATH-DIUMXTPXSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
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) | 39.7 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 122.6 |
| 8 (C) | 135 |
| 9 (CH) | 55.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 26.3 |
| 12 (CH) | 135.9 |
| 13 (C) | 132.4 |
| 14 (CH) | 141.7 |
| 15 (CH2) | 109.8 |
| 16 (CH3) | 11.9 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22 |
| 20 (CH3) | 14 |
