| SpectraBase Spectrum ID |
1PjEP9XXbvy |
| Name |
Cyclohexanecarboxylic acid, 3-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trimethoxy-, methyl ester, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]- |
| Alternate Name(s) |
Methyl (1S,3S,4S,5S)-3-{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]oxy}-1,4,5-trimethoxycyclohexanecarboxylate
Methyl ester of Penta-o-methyl chlorogenic acid
Permethyl chlorogenic acid
[1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-cyclohexanecarboxylic acid, 3-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trimethoxy-, methyl ester, |
| CAS Registry Number |
55837-04-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O9 |
| InChI |
InChI=1S/C22H30O9/c1-25-15-9-7-14(11-16(15)26-2)8-10-19(23)31-18-13-22(30-6,21(24)29-5)12-17(27-3)20(18)28-4/h7-11,17-18,20H,12-13H2,1-6H3/b10-8+/t17-,18-,20-,22-/m0/s1 |
| InChIKey |
RCNFVHINVQDVHW-VMYAZNOPSA-N |
| Molecular Weight |
438.473 g/mol |
| SMILES |
[C@]1(C[C@](OC(\C=C\c2cc(OC)c(cc2)OC)=O)([C@]([C@](C1)(OC)[H])(OC)[H])[H])(C(=O)OC)OC |
| SPLASH |
splash10-0076-1920100000-06f2f4a6db928635818f |
| Source of Spectrum |
KO-1-46-1116 |
| Wiley ID |
1384080 |
![Cyclohexanecarboxylic acid, 3-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trimethoxy-, methyl ester, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-](/api/spectrum/1PjEP9XXbvy/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 3-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trimethoxy-, methyl ester, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-")
