SpectraBase Spectrum ID |
98rXI0sN69z |
Name |
3-(Methoxymethoxy)-2-[N-(trifluoroacetamido)]octadec-4(E)-en-1-ol isomer [4E-D-erytho-C18-sphingosine dec.] |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H40F3NO4 |
InChI |
InChI=1S/C22H40F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(30-18-29-2)19(17-27)26-21(28)22(23,24)25/h15-16,19-20,27H,3-14,17-18H2,1-2H3,(H,26,28)/b16-15+/t19-,20+/m0/s1 |
InChIKey |
CDVBBLVSAOXRFE-QUDYQQOWSA-N |
Molecular Weight |
439.560 g/mol |
SMILES |
N(C(C(F)(F)F)=O)[C@@](CO)([C@@](\C=C\CCCCCCCCCCCCC)(OCOC)[H])[H] |
SPLASH |
splash10-001i-9000000000-57736f2a29eef49bda8b |
Source of Spectrum |
E1-41-1544-28 |
Wiley ID |
1559714 |