Spektraris NMR
(12E)-Labda-7,12,14-trien-20-oic acid
Common Name: (12E)-Labda-7,12,14-trien-20-oic acid
Synonyms: (12E)-Labda-7,12,14-trien-20-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(18(21)22)9-11-17-19(3,4)12-7-13-20(16,17)5/h6,8-9,16-17H,1,7,10-13H2,2-5H3,(H,21,22)/b14-8+/t16-,17-,20+/m0/s1
InChIKey: InChIKey=OYARUPGUBJDJCZ-MDSDPEQZSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
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) | 40.1 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.9 |
| 4 (C) | 32.8 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 24 |
| 7 (CH) | 140.5 |
| 8 (C) | 133.6 |
| 9 (CH) | 50 |
| 10 (C) | 36.9 |
| 11 (CH2) | 26 |
| 12 (CH) | 133.4 |
| 13 (C) | 133.1 |
| 14 (CH) | 141.8 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 11.7 |
| 17 (C) | 174.1 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 14.8 |
