Spektraris NMR
5(6)-Tetranorfriedolabden-12-oic acid
Common Name: 5(6)-Tetranorfriedolabden-12-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O2/c1-5-16(4)12-7-6-10-15(2,3)11(12)8-9-13(16)14(17)18/h8,12-13H,5-7,9-10H2,1-4H3,(H,17,18)/t12-,13+,16+/m1/s1
InChIKey: InChIKey=SVWIWSHBOOWWND-WWGRRREGSA-N
Formula: C16H26O2
Molecular Weight: 250.377044
Exact Mass: 250.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pinto, A.C., Antunes, O.A.C., Rezende, C.M., Correia, C.R.D. Phytochemistry (1995) 38, 1269-71
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 27.8 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 40.9 |
| 4 (C) | 36.1 |
| 5 (C) | 145.7 |
| 6 (CH) | 115.9 |
| 7 (CH2) | 31.6 |
| 8 (CH) | 34.3 |
| 9 (C) | 38.7 |
| 10 (CH) | 41 |
| 11 (CH3) | 41.4 |
| 12 (CH2) | 178.4 |
| 13 (CH3) | 15.6 |
| 14 (C) | 29.7 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 15.6 |
