Spektraris NMR
Erythroxylisin B
Common Name: Erythroxylisin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-9-19-7-5-14-17(2,3)10-13(21)16(22)18(14,4)15(19)6-8-20(12,23)11-19/h14-16,22-23H,1,5-11H2,2-4H3/t14-,15+,16+,18-,19+,20-/m1/s1
InChIKey: InChIKey=RJVTVQIFKMLWJM-JSQCUCEHSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - dos Santos, C.C., Sousa Lima, M.A., Braz-Filho, R., de Simone, C.A., Silveira, E.R. Magn Reson Chem (2005) 43, 1012-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 85.1 |
| 2 (C) | 211.3 |
| 3 (CH2) | 53.8 |
| 4 (C) | 39.8 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 40.3 |
| 8 (C) | 41.7 |
| 9 (CH) | 56.4 |
| 10 (C) | 49.9 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 41 |
| 13 (C) | 79.3 |
| 14 (CH2) | 56.7 |
| 15 (CH2) | 40.1 |
| 16 (C) | 157.4 |
| 17 (CH2) | 102.9 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 23 |
| 20 (CH3) | 12.1 |
