(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid

Catalog No. :: ACNIQF600
CAS No. :: 1629852-63-6
Molecular Formula :: C22H28O14
Molecular Weight :: 516.45

IUPAC Name:(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid

(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid structure diagram

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Product Information

Product Name	(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid
IUPAC Name	(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid
MDL No.	-
Molecular Formula	C22H28O14
Molecular Weight	516.45
SMILES	O=C(/C=C/C1=CC=C(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
InChI Key	ABXYVNGLNANCOI-NSGBDHDDSA-N
Synonym	Cyclohexanecarboxylic acid, 3-[[(2E)-3-[4-(D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-;3-[[(2E)-3-[4-(D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-(1S,3R,4R,5R)-Cyclohexanecarboxylic acid;Cyclohexanecarboxylicacid,3-[[(2E)-3-[4-(D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propen-1-yl...;Chlorogenic acid Impurity 4
CAS No.	1629852-63-6

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Synthetic Route by SureRoute

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ACNIQF6001629852-63-6

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(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid

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Safety Data

Synthetic Route by SureRoute

1. ACNIQF600 Molecular Building Block Synthetic Route

2. ACNIQF600 Molecular Building Block Synthetic Route

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(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(((E)-3-(3-hydroxy-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)cyclohexanecarboxylic acid

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Safety Data

Synthetic Route by SureRoute

(2S,3S,4S,5R,6S)-6-(4-((E)-2-Carboxyvinyl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(5-((E)-2-Carboxyvinyl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(4-(2-Carboxyvinyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(5-(2-carboxyvinyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

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