Spektraris NMR
Labda-8(20),13(16),14-trien-3-one
Common Name: Labda-8(20),13(16),14-trien-3-one
Synonyms: Labda-8(20),13(16),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/h7,16-17H,1-3,8-13H2,4-6H3/t16-,17-,20+/m0/s1
InChIKey: InChIKey=NKSHQAKXEWNSPC-ABSDTBQOSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2003) 63, 227-33
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) | 34.7 |
| 3 (C) | 216.7 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.5 |
| 9 (CH) | 55.5 |
| 10 (C) | 39.2 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 30.2 |
| 13 (C) | 146.8 |
| 14 (CH) | 139 |
| 15 (CH2) | 113.3 |
| 16 (CH2) | 115.7 |
| 17 (CH2) | 107.5 |
| 18 (CH3) | 26 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.1 |
