Spektraris NMR
Jatrowedione
Common Name: Jatrowedione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-10-8-12-15(17(10)22)18-20(5,23-18)7-6-13-14(19(13,3)4)9-11(2)16(12)21/h8,11-15,18H,6-7,9H2,1-5H3/t11-,12+,13+,14-,15+,18-,20-/m1/s1
InChIKey: InChIKey=GMIOZCGSDXNFCP-SUGQTRMGSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morgenstern, T., Bittner, M., Silva, M., Aqueveque, P., Jakupovic, J. Phytochemistry (1996) 41, 1149-53
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 (CH) | 156 |
| 2 (C) | 140.5 |
| 3 (C) | 211.9 |
| 4 (CH) | 47.6 |
| 5 (CH) | 79.2 |
| 6 (C) | 73.6 |
| 7 (CH2) | 41.3 |
| 8 (CH2) | 18.9 |
| 9 (CH) | 28.6 |
| 10 (C) | 16 |
| 11 (CH) | 19.9 |
| 12 (CH2) | 28.3 |
| 13 (CH) | 43.8 |
| 14 (C) | 210.5 |
| 15 (CH) | 51.5 |
| 16 (CH3) | 10.1 |
| 17 (CH3) | 26 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 15 |
| 20 (CH3) | 13.4 |
