Spektraris NMR
Ethyl labd-13E-en-8β-ol-15-oate
Common Name: Ethyl labd-13E-en-8β-ol-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O3/c1-7-25-19(23)15-16(2)9-10-18-21(5)13-8-12-20(3,4)17(21)11-14-22(18,6)24/h15,17-18,24H,7-14H2,1-6H3/b16-15+/t17-,18+,21-,22-/m0/s1
InChIKey: InChIKey=NPAXDLXWXMAHRI-SCQOPIOESA-N
Formula: C22H38O3
Molecular Weight: 350.536153
Exact Mass: 350.282095
NMR Solvent: CDCl3
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) | 39.2 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 42.3 |
| 8 (C) | 73.1 |
| 9 (CH) | 58.8 |
| 10 (C) | 39 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 44.6 |
| 13 (C) | 160.2 |
| 14 (CH) | 115.3 |
| 15 (C) | 166.9 |
| 16 (CH3) | 19 |
| 17 (CH3) | 30.6 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 15.1 |
| 15a (CH2) | 59.5 |
| 15b (CH3) | 14.3 |
