Spektraris NMR
Escobarine A
Common Name: Escobarine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/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/h1,11-14,16,22H,6-10H2,2-4H3/t12-,13-,14-,16-,18+,19-,20+/m0/s1
InChIKey: InChIKey=RLCVKAJQPCOLQK-OJQPHWMWSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
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) | 38.07 |
| 2 (CH2) | 18.52 |
| 3 (CH2) | 41.45 |
| 4 (C) | 36.17 |
| 5 (CH) | 52.36 |
| 6 (CH2) | 32.02 |
| 7 (CH) | 72.44 |
| 8 (CH) | 41.86 |
| 9 (CH) | 42.18 |
| 10 (C) | 36.17 |
| 11 (CH2) | 36.74 |
| 12 (C) | 197 |
| 13 (C) | 73.78 |
| 14 (C) | 71.15 |
| 15 (C) | 118.62 |
| 16 (CH) | 79.16 |
| 17 (CH) | 194.52 |
| 18 (CH3) | 33.13 |
| 19 (CH3) | 21.53 |
| 20 (CH3) | 13.81 |
