(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Catalog No. :: ACVKMN680
CAS No. :: 307950-53-4
Molecular Formula :: C33H38O23
Molecular Weight :: 802.64

IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid structure diagram

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Product Information

Product Name	(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula	C33H38O23
Molecular Weight	802.64
SMILES	O=C(O)[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)O3)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	AAKJOZZAGIRTOJ-JOFBQTNNSA-N
Synonym	6-Hydroxykaempferol 3,6-diglucoside 7-glucuronide
CAS No.	307950-53-4

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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ACVKMN680307950-53-4

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ACVKMN680307950-53-4

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(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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Synthetic Route by SureRoute

1. ACVKMN680 Molecular Building Block Synthetic Route

2. ACVKMN680 Molecular Building Block Synthetic Route

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(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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Safety Data

Synthetic Route by SureRoute

5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-tris(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Isorhamnetin 3-glucuronide

(2S,3S,4S,5R,6S)-6-((5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2R,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(4-(9-hydroxy-7-methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-methoxyphenoxy)tetrahydro-2H-pyran-2-carboxylic acid

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