Spektraris NMR
Demethylfurospongin-4
Common Name: Demethylfurospongin-4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O5/c1-19(10-5-13-22-16-17-30-18-22)8-4-9-20(2)11-6-14-23(25(28)29)15-7-12-21(3)24(26)27/h9-10,12,14,16-18H,4-8,11,13,15H2,1-3H3,(H,26,27)(H,28,29)/b19-10+,20-9+,21-12-,23-14-
InChIKey: InChIKey=PDLLQHLQXNHVGF-ZCEGKBBNSA-N
Formula: C25H34O5
Molecular Weight: 414.535408
Exact Mass: 414.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garrido, L., Zubia, E., Ortega, M.J., Salva, J. J Nat Prod (1997) 60, 794-7
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (CH) | 142.5 |
| 2 (CH) | 111.1 |
| 3 (C) | 125 |
| 4 (CH) | 138.8 |
| 5 (CH2) | 25 |
| 6 (CH2) | 28.4 |
| 7 (CH) | 123.8 |
| 8 (C) | 135.7 |
| 9 (CH3) | 16 |
| 10 (CH2) | 39.6 |
| 11 (CH2) | 26.6 |
| 12 (CH) | 125 |
| 13 (C) | 134 |
| 14 (CH3) | 15.8 |
| 15 (CH2) | 38.9 |
| 16 (CH2) | 28 |
| 17 (CH) | 144.5 |
| 18 (C) | 131.3 |
| 19 (C) | 174.1 |
| 20 (CH2) | 33.2 |
| 21 (CH2) | 30.5 |
| 22 (CH) | 143.6 |
| 23 (C) | 128.1 |
| 24 (CH3) | 11.7 |
| 25 (C) | 173.5 |
