Spektraris NMR
Shinsonefuran
Common Name: Shinsonefuran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O3/c1-19-8-9-23-24(2,11-5-12-25(23,3)18-27)15-22(19)14-21(16-26)7-4-6-20-10-13-28-17-20/h10,13,17,21-23,26-27H,1,4-9,11-12,14-16,18H2,2-3H3/t21-,22-,23+,24+,25-/m0/s1
InChIKey: InChIKey=WLIOJKHPSJIRCX-LJXDPWEESA-N
Formula: C25H40O3
Molecular Weight: 388.584242
Exact Mass: 388.297745
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Phuwapraisirisan, P., Matsunaga, S., Van Soest, R.W.M., Fusetani, N. Tetrahedron Lett (2004) 45, 2125-8
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) | 45.5 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 37.6 |
| 4 (C) | 39.6 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 29.2 |
| 7 (CH2) | 34.6 |
| 8 (C) | 157.4 |
| 9 (CH) | 40.3 |
| 10 (CH2) | 53.9 |
| 11 (C) | 37.8 |
| 12 (CH2) | 40 |
| 13 (CH) | 38.2 |
| 14 (CH2) | 31.4 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 26 |
| 17 (C) | 126.4 |
| 18 (CH) | 111.9 |
| 19 (CH) | 143.9 |
| 20 (CH3) | 18.2 |
| 21 (CH2) | 72 |
| 22 (CH2) | 110.5 |
| 23 (CH3) | 19.2 |
| 24 (CH2) | 65.9 |
| 25 (CH) | 140.1 |
