| SpectraBase Spectrum ID |
8G8VKyX66K9 |
| Name |
5-[14-Heptadecenyl]-4S,5R-dihydroxy-2-cyclohexenone |
| Appearance |
Amorphous white powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H40O3 |
| InChI |
InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)20-21(24)17-18-22(23)25/h3-4,17-18,22,25-26H,2,5-16,19-20H2,1H3/t22-,23+/m0/s1 |
| InChIKey |
TYJQNNWWKJMQRK-XZOQPEGZSA-N |
| Instrument Name |
Finnigan-MAT/TSQ-700 triple stage quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0202428 |
| Molecular Weight |
364.570 g/mol |
| Optical Rotation |
[a]D25 = -23.5 (c = 0.46, CHCl3) |
| Reported Formula |
C23H40O3 |
| SMILES |
O[C@@]1([C@@](CCCCCCCCCCCCCC=CCC)(CC(C=C1)=O)O)[H] |
| SPLASH |
splash10-053r-6903000000-55ad44f2ee3c759111b8 |
| Source of Spectrum |
G4-66-580-3 |
| Wiley ID |
1881320 |
![5-[14-Heptadecenyl]-4S,5R-dihydroxy-2-cyclohexenone](/api/spectrum/8G8VKyX66K9/structure.png?h=300&w=458 "5-[14-Heptadecenyl]-4S,5R-dihydroxy-2-cyclohexenone")
