Spektraris NMR
Isofurospongin-2
Common Name: Isofurospongin-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h9-16H,3-8H2,1-2H3/b17-13-,18-14-
InChIKey: InChIKey=LMNQNJRZKZYBMX-JTFWXBGUSA-N
Formula: C21H26O3
Molecular Weight: 326.430128
Exact Mass: 326.188195
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) | 142.6 |
| 2 (CH) | 111 |
| 3 (C) | 125 |
| 4 (CH) | 138.9 |
| 5 (CH2) | 24.9 |
| 6 (CH2) | 28.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 157.5 |
| 9 (CH3) | 25.3 |
| 10 (CH) | 126.7 |
| 11 (C) | 190.7 |
| 12 (CH) | 126.7 |
| 13 (C) | 157.5 |
| 14 (CH3) | 25.3 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 28.5 |
| 17 (CH2) | 24.9 |
| 18 (C) | 125 |
| 19 (CH) | 138.9 |
| 20 (CH) | 111 |
| 21 (CH) | 142.6 |
