| SpectraBase Spectrum ID |
8vSVdp07qx7 |
| Name |
(2R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-hydroxy-3-(octadecanoyloxy)phenyl]propanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
626.345483181 u |
| Formula |
C36H50O9 |
| InChI |
InChI=1S/C36H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(40)44-32-25-28(19-22-30(32)38)26-33(36(42)43)45-35(41)23-20-27-18-21-29(37)31(39)24-27/h18-25,33,37-39H,2-17,26H2,1H3,(H,42,43)/b23-20+/t33-/m1/s1 |
| InChIKey |
GCWWWUGXOCMTOW-IGABIVQWSA-N |
| Molecular Weight |
626.787 g/mol |
| SMILES |
C(=O)(O)[C@@](CC=1C=C(C(=CC1)O)OC(CCCCCCCCCCCCCCCCC)=O)(OC(\C=C\C=1C=CC(=C(C1)O)O)=O)[H] |
![(2R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-hydroxy-3-(octadecanoyloxy)phenyl]propanoic acid](/api/spectrum/8vSVdp07qx7/structure.png?h=300&w=458 "(2R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-hydroxy-3-(octadecanoyloxy)phenyl]propanoic acid")
