Spektraris NMR
3-Oxo-7-labden-15-oate
Common Name: 3-Oxo-7-labden-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h8,14,16-17H,7,9-13H2,1-6H3/t14-,16-,17-,21+/m0/s1
InChIKey: InChIKey=WONSMFXLYXZLQI-WFNJMBFTSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Oliva, I.M., Garrido, N.M., Hagget, J., Humphreys, V.M. Phytochemistry (1995) 38, 663-6
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) | 38 |
| 2 (CH2) | 34.6 |
| 3 (C) | 218.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 121.9 |
| 8 (C) | 135.4 |
| 9 (CH) | 54.4 |
| 10 (C) | 36.7 |
| 11 (CH2) | 24.8 |
| 12 (CH2) | 41.3 |
| 13 (CH) | 31.2 |
| 14 (CH2) | 39.1 |
| 15 (C) | 173.4 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 25.1 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 13.4 |
| 15a (CH3) | 51.4 |
