Spektraris NMR
C25:4 Highly branched isoprenoid A
Common Name: C25:4 Highly branched isoprenoid A
Synonyms: C25:4 Highly branched isoprenoid A
CAS Registry Number:
InChI: InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,15,17,20-21,25H,1,6,10-14,16,18-19H2,2-5,7-8H3/b23-17+,24-15+
InChIKey: InChIKey=QWAOQWFXPUZRSC-BXPHKCKFSA-N
Formula: C25H44
Molecular Weight: 344.617791
Exact Mass: 344.344301
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Allard W.G., Belt S.T., Masse G., Naumann R., Robert J.M., Rowland S. Phytochemistry (2001) 56, 795-800
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 (CH3) | 22.7 |
| 2 (CH) | 27.9 |
| 3 (CH2) | 39 |
| 4 (CH2) | 25.5 |
| 5 (CH) | 126.6 |
| 6 (C) | 135.4 |
| 7 (CH) | 49.4 |
| 8 (CH2) | 32.2 |
| 9 (CH) | 123.1 |
| 10 (C) | 135.9 |
| 11 (CH2) | 39.9 |
| 12 (CH2) | 25.7 |
| 13 (CH2) | 38.5 |
| 14 (CH) | 27.5 |
| 15 (CH3) | 22.7 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 11.9 |
| 18 (CH3) | 16 |
| 19 (CH3) | 22.6 |
| 20 (CH2) | 29.4 |
| 21 (CH2) | 31.3 |
| 22 (C) | 146.9 |
| 23 (CH) | 139.1 |
| 24 (CH2) | 113.1 |
| 25 (CH2) | 115.4 |
