Spektraris NMR
(13Z)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester
Common Name: (13Z)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester
Synonyms: (13Z)-8-Oxo-20-norlabd-13-en-15-oic acid ethyl ester
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-6-24-19(23)14-15(2)8-9-16-17(22)10-11-18-20(3,4)12-7-13-21(16,18)5/h14,16,18H,6-13H2,1-5H3/b15-14-/t16-,18-,21+/m0/s1
InChIKey: InChIKey=SFGNAWSMGZOKIV-YHBBHVDSSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - van Wyk, A.W.W., Davies-Coleman, M.T. Tetrahedron (2007) 63, 12179-84
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) | 39.1 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.6 |
| 5 (CH) | 54.2 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 42.6 |
| 8 (C) | 212 |
| 9 (CH) | 63.6 |
| 10 (C) | 42.7 |
| 11 (CH2) | 20 |
| 12 (CH2) | 32.6 |
| 13 (C) | 160.5 |
| 14 (CH) | 116.3 |
| 15 (C) | 166.4 |
| 16 (CH3) | 25 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.7 |
| 15a (CH2) | 59.5 |
| 15b (CH3) | 14.4 |
