magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate

Catalog No. :: ACNTJQ653
CAS No. :: 122021-74-3
Molecular Formula :: C36H28MgO16
Molecular Weight :: 740.91

IUPAC Name:magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate

magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate structure diagram

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Product Name	magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate
IUPAC Name	magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate
MDL No.	MFCD00914300
Molecular Formula	C36H28MgO16
Molecular Weight	740.91
SMILES	O=C(/C=C/C1=C2C(=C(O)C=C1)OC(C1=CC(O)=C(O)C=C1)C2C(=O)OC(CC1=CC(O)=C(O)C=C1)C(=O)[O-])OC(CC1=CC(O)=C(O)C=C1)C(=O)[O-].[Mg+2]
InChI Key	ANUBYMNVOPVATP-OAZHBLANSA-L
Synonym	MAGNESIUM LITHOSPERMATE B 98%;Monomethyl lithospermate B;magnessium lithospermate B;magnesium,2-[(E)-3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoate;Magnesium Salvianolate B;Magnesium Lithospermate B;Magnesium Lithospermate B, 10 mM in DMSO;Magnesium 4-((R)-2-carboxy-2-(((2S,3S)-4-((E)-3-((R)-1-carboxy-2-(3-hydroxy-4-oxidophenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)ethyl)-2-hydroxyphenolate
CAS No.	122021-74-3
PubChem CID	6438135

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magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate

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1. ACNTJQ653 Molecular Building Block Synthetic Route

2. ACNTJQ653 Molecular Building Block Synthetic Route

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magnesium (E)-2-((4-(3-(1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoate

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Synthetic Route by SureRoute

(R)-2-(((2S,3S)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

Salvianolic acid Y

2-(((2S,3S)-4-((E)-3-((R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid

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