Spektraris NMR
Elisabethin B Pyrazoline
Common Name: Elisabethin B Pyrazoline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30N2O2/c1-12(2)10-15-11-14(4)16-7-6-13(3)17(23)20(15,16)18(24)19(5)8-9-21-22-19/h10,13-16H,6-9,11H2,1-5H3/t13-,14-,15+,16+,19-,20+/m0/s1
InChIKey: InChIKey=RXULZHZGYPCCLE-IJPWUHMPSA-N
Formula: C20H30N2O2
Molecular Weight: 330.465237
Exact Mass: 330.230728
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Gonzalez, E., Huang, S.D. J Org Chem (1998) 63, 7083-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Elisabethanes; 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) | 75.1 |
| 2 (C) | 212.3 |
| 3 (CH) | 41.8 |
| 4 (CH2) | 31.6 |
| 5 (CH2) | 31.8 |
| 6 (CH) | 52 |
| 7 (CH) | 39.9 |
| 8 (CH2) | 39.5 |
| 9 (CH) | 46.3 |
| 10 (CH) | 122.9 |
| 11 (C) | 133.7 |
| 12 (CH3) | 26.4 |
| 13 (CH3) | 17.8 |
| 14 (C) | 209.2 |
| 15 (C) | 99.2 |
| 16 (CH2) | 29.9 |
| 17 (CH3) | 26.1 |
| 18 (CH3) | 15.2 |
| 19 (CH3) | 22.5 |
| 20 (CH2) | 75.5 |
