(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester

Catalog No. :: ACIBZW634
CAS No. :: 131189-57-6
Molecular Formula :: C24H30O14
Molecular Weight :: 542.49

IUPAC Name:methyl (2S,3R,4S)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(2-((3,4,5-trihydroxybenzoyl)oxy)ethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester structure diagram

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Product Information

Product Name	(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester
IUPAC Name	methyl (2S,3R,4S)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(2-((3,4,5-trihydroxybenzoyl)oxy)ethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
MDL No.	MFCD21606970
Molecular Formula	C24H30O14
Molecular Weight	542.49
SMILES	O=C(C1=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](C=C)[C@@H]1CCOC(C3=CC(O)=C(O)C(O)=C3)=O)OC
InChI Key	SMTKSCGLXONVGL-UPIRYGIPSA-N
Synonym	7-Galloylsecologanol \| 7-O-Galloylsecologanol
CAS No.	131189-57-6
PubChem CID	11228694

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P305+P351+P338

Synthetic Route by SureRoute

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(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester

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1. ACIBZW634 Molecular Building Block Synthetic Route

2. ACIBZW634 Molecular Building Block Synthetic Route

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(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester

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Safety Data

Synthetic Route by SureRoute

7α-Galloyloxysweroside

7β-Galloyloxysweroside

(1S,4AS,6R,7R,7aS)-6-((3-hydroxybenzoyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

(2S,3R,4S)-Methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

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