Spektraris NMR
Cacospongionolide F
Common Name: Cacospongionolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-16-7-9-19-20(6-5-12-24(19,2)3)25(16,4)13-11-17-8-10-21(28-15-17)18-14-22(26)29-23(18)27/h8-9,14,16,20-21,23,27H,5-7,10-13,15H2,1-4H3/t16-,20-,21+,23-,25-/m0/s1
InChIKey: InChIKey=GWCZMTHDKIPBNV-JRQRPHQWSA-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., Amodeo, P., Tancredi, T. J Nat Prod (1999) 62, 1316-8
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) | 30.9 |
| 2 (CH2) | 23 |
| 3 (CH2) | 41.9 |
| 4 (C) | 36.7 |
| 5 (C) | 145.5 |
| 6 (CH) | 114.4 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 32.7 |
| 9 (C) | 35.7 |
| 10 (CH) | 40.6 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 26.7 |
| 13 (C) | 138.3 |
| 14 (CH) | 115.9 |
| 15 (CH2) | 29.1 |
| 16 (CH) | 69.5 |
| 17 (C) | 168.4 |
| 18 (CH) | 117.2 |
| 19 (C) | 170.8 |
| 20 (CH3) | 22.1 |
| 21 (CH3) | 29.4 |
| 22 (CH3) | 14.6 |
| 23 (CH3) | 22.1 |
| 24 (CH2) | 68.3 |
| 25 (CH) | 97.2 |
