Spektraris NMR
Lathyrol
Common Name: Lathyrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16-,17-,20+/m0/s1
InChIKey: InChIKey=SDBITTRHSROXCY-SVSKDHLKSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Belloro, E., Tron, G.C., Jakupovic, J., Ballero, M. J Nat Prod (1999) 62, 1399-404
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 46.8 |
| 2 (CH) | 38.1 |
| 3 (CH) | 77.2 |
| 4 (CH) | 53.2 |
| 5 (CH) | 69.6 |
| 6 (C) | 147.8 |
| 7 (CH2) | 33.7 |
| 8 (CH2) | 23.2 |
| 9 (CH) | 34.8 |
| 10 (C) | 24 |
| 11 (CH) | 26 |
| 12 (CH) | 139.9 |
| 13 (C) | 137 |
| 14 (C) | 206.7 |
| 15 (C) | 87.9 |
| 16 (CH3) | 13.9 |
| 17 (CH2) | 110.9 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 13.6 |
