Spektraris NMR
Caucanolide E
Common Name: Caucanolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-13(2)16(12-22)7-6-15-9-18(27-20(15)24)11-21(4,25-5)10-17-8-14(3)19(23)26-17/h8-10,12,18H,6-7,11H2,1-5H3/b17-10-/t18-,21-/m0/s1
InChIKey: InChIKey=MSDPTAGLGJLKRT-GBQQKYESSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D., Sanchez, J.A., Ortega-Barria, E., Capson, T.L., Mayer, A.M. J Nat Prod (2005) 68, 1519-26
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 156.7 |
| 2 (CH) | 190.7 |
| 3 (C) | 170.6 |
| 4 (C) | 129.6 |
| 5 (CH) | 138.8 |
| 6 (C) | 147.9 |
| 7 (CH) | 115.9 |
| 8 (C) | 76 |
| 9 (CH2) | 44.7 |
| 10 (CH) | 78 |
| 11 (CH) | 149.7 |
| 12 (C) | 132.9 |
| 13 (CH2) | 24.4 |
| 14 (CH2) | 23.4 |
| 15 (C) | 135.5 |
| 16 (CH3) | 19.3 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 10.5 |
| 19 (CH3) | 24.4 |
| 20 (C) | 173.7 |
| 8b (CH3) | 50.7 |
