| SpectraBase Spectrum ID |
AvyVkf8KIYm |
| Name |
Cyclohexanecarboxylic acid, 1,3,4-tris(acetyloxy)-5-[[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]oxy]-, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]- |
| CAS Registry Number |
55822-94-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H28O14 |
| InChI |
InChI=1S/C26H28O14/c1-13(27)35-19-8-6-18(10-20(19)36-14(2)28)7-9-23(32)39-22-12-26(25(33)34,40-17(5)31)11-21(37-15(3)29)24(22)38-16(4)30/h6-10,21-22,24H,11-12H2,1-5H3,(H,33,34)/b9-7+/t21-,22-,24-,26-/m1/s1 |
| InChIKey |
DBAMRYSPVOATOO-SABRZURMSA-N |
| Molecular Weight |
564.496 g/mol |
| SMILES |
OC([C@]1(C[C@@](OC(=O)C)([C@]([C@@](C1)(OC(\C=C\c1cc(OC(=O)C)c(cc1)OC(=O)C)=O)[H])(OC(=O)C)[H])[H])OC(=O)C)=O |
| SPLASH |
splash10-03ec-6900100000-a13bebeb721fac56f97c |
| Source of Spectrum |
KO-1-46-12 |
| Synonyms |
(1R,3R,4R,5R)-1,3,4-tris(acetyloxy)-5-({(2E)-3-[3,4-bis(acetyloxy)phenyl]-2-propenoyl}oxy)cyclohexanecarboxylic acid
Penta-acetylchlorogenic acid |
| Wiley ID |
1407091 |
![Cyclohexanecarboxylic acid, 1,3,4-tris(acetyloxy)-5-[[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]oxy]-, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-](/api/spectrum/AvyVkf8KIYm/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 1,3,4-tris(acetyloxy)-5-[[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propenyl]oxy]-, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-")
