Spektraris NMR
Erythroxylisin A
Common Name: Erythroxylisin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13-11-19-9-5-14-17(2,3)8-7-16(21)18(14,4)15(19)6-10-20(13,22)12-19/h14-15,22H,1,5-12H2,2-4H3/t14-,15+,18-,19+,20-/m1/s1
InChIKey: InChIKey=TVFWMJRRCBGWKC-RNEXODBNSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
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 (C) | 217.4 |
| 2 (CH2) | 35.8 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.4 |
| 5 (CH) | 57.8 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 41.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 47.4 |
| 10 (C) | 52.3 |
| 11 (CH2) | 23.1 |
| 12 (CH2) | 40.1 |
| 13 (C) | 79.7 |
| 14 (CH2) | 56.6 |
| 15 (CH2) | 40.8 |
| 16 (C) | 157.6 |
| 17 (CH2) | 102.6 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 32.5 |
| 20 (CH3) | 23.4 |
