| SpectraBase Spectrum ID |
6qHBED9C0ZO |
| Name |
(2R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-hydroxy-3-(octadecanoyloxy)phenyl]propanoic Acid |
| Alternate Name(s) |
(R,E)-2-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-3-(4-hydroxy-3-(stearoyloxy)phenyl)propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
OC([C@](OC(\C=C\c1ccc(c(c1)O)O)=O)(Cc1cc(c(cc1)O)OC(CCCCCCCCCCCCCCCCC)=O)[H])=O |
| SPLASH |
splash10-004i-0910000000-61a9da4974e4c65b5415 |
| Source of Spectrum |
CBD-8-859-2 |
| Wiley ID |
1788792 |
![(2R)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-hydroxy-3-(octadecanoyloxy)phenyl]propanoic Acid](/api/spectrum/6qHBED9C0ZO/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")
