Spektraris NMR
Ceriopsin E
Common Name: Ceriopsin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-18-6-4-7-19(2,17(22)24-3)15(18)5-8-20-10-13-14(9-16(18)20)25-12-21(13,23)11-20/h9,13-15,23H,4-8,10-12H2,1-3H3/t13-,14+,15-,18+,19+,20-,21-/m0/s1
InChIKey: InChIKey=YRLLCHPGMOPSAC-PDNTXJDSSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L., Lobkovsky, E., Clardy, J. J Nat Prod (2002) 65, 592-4
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 (CH2) | 40.5 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38.1 |
| 4 (C) | 44.8 |
| 5 (CH) | 46 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 29.6 |
| 8 (C) | 43.5 |
| 9 (C) | 162.2 |
| 10 (C) | 38.7 |
| 11 (CH) | 114.3 |
| 12 (CH) | 80.1 |
| 13 (CH) | 53.1 |
| 14 (CH2) | 42.3 |
| 15 (CH2) | 55.4 |
| 16 (C) | 89.7 |
| 17 (CH2) | 79.4 |
| 18 (CH3) | 27.9 |
| 19 (C) | 177.7 |
| 20 (CH3) | 23.3 |
| 19a (CH3) | 51.3 |
