Spektraris NMR
Cacospongionolide E
Common Name: Cacospongionolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20+,21-,23+,24-,25-/m0/s1
InChIKey: InChIKey=WBDQPITVPUAHAN-DRCQBYJMSA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De Rosa, S., Crispino, A., De Giulio, A., Iodice, C., Benrezzouk, R., Terencio, M.C., Ferrandiz, M.L., Alcaraz, M.J., Paya, M. J Nat Prod (1998) 61, 931-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 20 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 122.4 |
| 4 (C) | 142 |
| 5 (C) | 38.6 |
| 6 (CH2) | 32.2 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 37.4 |
| 9 (C) | 38.7 |
| 10 (CH) | 44.6 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 26.7 |
| 13 (C) | 138.4 |
| 14 (CH) | 116.5 |
| 15 (CH2) | 29.4 |
| 16 (CH) | 69.5 |
| 17 (C) | 167.3 |
| 18 (CH) | 117.8 |
| 19 (C) | 170.9 |
| 20 (CH3) | 19.3 |
| 21 (CH3) | 27.7 |
| 22 (CH3) | 15.4 |
| 23 (CH3) | 26.2 |
| 24 (CH2) | 68.5 |
| 25 (CH) | 97.3 |
