| SpectraBase Spectrum ID |
1P3GaF1RIHD |
| Name |
18-[(3S,4R,5R)-Tetrahydro-4-hydroxy-5-methyl-2-oxofuran-3-yl]octadecanyl (2E)-3-(3,4-Dimethoxyphenyl)prop-2-enoate |
| Alternate Name(s) |
Calligonolide A
18-((3S,4R,5R)-4-hydroxy-5-methyl-2-oxotetrahydrofuran-3-yl)octadecyl (E)-3-(3,4-dimethoxyphenyl)acrylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H54O7 |
| InChI |
InChI=1S/C34H54O7/c1-27-33(36)29(34(37)41-27)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25-40-32(35)24-22-28-21-23-30(38-2)31(26-28)39-3/h21-24,26-27,29,33,36H,4-20,25H2,1-3H3/b24-22+/t27-,29+,33+/m1/s1 |
| InChIKey |
KNRUCAMPWSCVQL-IHIAFODXSA-N |
| Literature Reference DOI |
10.1002/cbdv.200790137 |
| Molecular Weight |
574.799 g/mol |
| SMILES |
O[C@@]1([C@@](C(O[C@@]1(C)[H])=O)(CCCCCCCCCCCCCCCCCCOC(\C=C\c1cc(c(cc1)OC)OC)=O)[H])[H] |
| SPLASH |
splash10-0691-0963310000-d74e3a5b86408f41ad31 |
| Source of Spectrum |
CBD-4-1583-1 |
| Wiley ID |
1790347 |
![18-[(3S,4R,5R)-Tetrahydro-4-hydroxy-5-methyl-2-oxofuran-3-yl]octadecanyl (2E)-3-(3,4-Dimethoxyphenyl)prop-2-enoate](/api/spectrum/1P3GaF1RIHD/structure.png?h=300&w=458 "18-[(3S,4R,5R)-Tetrahydro-4-hydroxy-5-methyl-2-oxofuran-3-yl]octadecanyl (2E)-3-(3,4-Dimethoxyphenyl)prop-2-enoate")
