Spektraris NMR
Escobarine B
Common Name: Escobarine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-5-19-15(23)9-12-16(20(19,11-21)24-19)13(22)10-14-17(2,3)7-6-8-18(12,14)4/h1,12-14,16,21-22H,6-11H2,2-4H3/t12-,13-,14-,16-,18+,19-,20+/m0/s1
InChIKey: InChIKey=OALKGOAONKVJBG-OJQPHWMWSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Encarnacion-Dimayuga, R., Agundez-Espinoza, J., Garcia, A., Delgado, G., Molina-Salinas, G.M., Said-Fernandez, S. Planta Med (2006) 72, 757-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 38.45 |
| 2 (CH2) | 18.46 |
| 3 (CH2) | 41.42 |
| 4 (C) | 32.91 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 32.39 |
| 7 (CH) | 71.58 |
| 8 (CH) | 41.21 |
| 9 (CH) | 41.94 |
| 10 (C) | 35.97 |
| 11 (CH2) | 36.79 |
| 12 (C) | 200.11 |
| 13 (C) | 60.73 |
| 14 (C) | 69.76 |
| 15 (C) | 75.14 |
| 16 (CH) | 78.38 |
| 17 (CH2) | 63.12 |
| 18 (CH3) | 33.09 |
| 19 (CH3) | 21.51 |
| 20 (CH3) | 13.67 |
