Spektraris NMR
Lagerstronolide
Common Name: Lagerstronolide
Synonyms: Lagerstronolide
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14-7-10-18-21(3,4)11-6-12-22(18,5)17(14)9-8-16-13-19(24)26-20(16)25-15(2)23/h13,17-18,20H,1,6-12H2,2-5H3/t17-,18-,20?,22+/m0/s1
InChIKey: InChIKey=GGNLRMHJOHXVED-GBZNYACQSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Basabe, P., Bodero, O., Marcos, I.S., Diez, D., Roman, M.d., Bianco, A., Urones, J.G. Tetrahedron (2007) 63, 11838-43
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 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.5 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 39.1 |
| 8 (C) | 149.7 |
| 9 (CH) | 56.1 |
| 10 (C) | 39.8 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 26.5 |
| 13 (C) | 167.9 |
| 14 (CH) | 118 |
| 15 (C) | 170.9 |
| 16 (CH) | 93.7 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14.4 |
| 16a (C) | 170.9 |
| 16b (CH3) | 33.5 |
