| SpectraBase Spectrum ID |
tXMcwAlLp5 |
| Name |
5-[16-Nonadecenyl]-4S,5R-dihydroxy-2-cyclohexenone |
| Appearance |
Amorphous white powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H44O3 |
| InChI |
InChI=1S/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(28)22-23(26)19-20-24(25)27/h3-4,19-20,24,27-28H,2,5-18,21-22H2,1H3/t24-,25+/m0/s1 |
| InChIKey |
QOVKJPVDCVBFJX-LOSJGSFVSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0202428 |
| Molecular Weight |
392.624 g/mol |
| Optical Rotation |
[a]D25 = -13.9 (c = 0.24, CHCl3) |
| Reported Formula |
C25H44O3 |
| SMILES |
O[C@@]1([C@@](CCCCCCCCCCCCCCCC=CCC)(CC(C=C1)=O)O)[H] |
| SPLASH |
splash10-0a59-9002000000-a9cf24e68b1577aeafa0 |
| Source of Spectrum |
G4-66-580-5 |
| Wiley ID |
1881322 |
![5-[16-Nonadecenyl]-4S,5R-dihydroxy-2-cyclohexenone](/api/spectrum/tXMcwAlLp5/structure.png?h=300&w=458 "5-[16-Nonadecenyl]-4S,5R-dihydroxy-2-cyclohexenone")
