Account Sodium 4-(((2R,3R)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate
- Catalog No. :
- ACCMTF079
- CAS No. :
- 55254-34-7
- Molecular Formula :
- C33H28Na2O16
- Molecular Weight :
- 726.55
IUPAC Name:sodium 4-(((2R,3R)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate
![Sodium 4-(((2R,3R)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium 4-(((2R,3R)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate |
|---|---|
| IUPAC Name | sodium 4-(((2R,3R)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate |
| Molecular Formula | C33H28Na2O16 |
| Molecular Weight | 726.55 |
| SMILES | O=C(OC[C@H]1OC2=CC=C([C@@H]3[C@@H](OC(CCC([O-])=O)=O)C(C4=C(O)C=C(O)C=C4O3)=O)C=C2O[C@@H]1C5=CC=C(O)C(OC)=C5)CCC([O-])=O.[Na+].[Na+] |
| InChI Key | YIDLJQVKFQDISS-DSGKQNAUSA-L |
| Synonym | Butanedioic acid, mono[[6-[3-(3-carboxy-1-oxopropoxy)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl]methyl] ester, disodium salt, [2R-[2alpha,3beta,6(2R*,3R*)]]-;SILYBINDIHEMISUCCINATE,SODIUMSALT;Silybin disodium hemisuccinate;Butanedioic acid, 1-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxy-1-oxopropoxy)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl]methyl] ester, sodium salt;SIHS-Na;Silibinin A disodium dihemisuccinate;Silybin dihemisuccinate disodium;Silybin dihemisuccinate disodium salt |
| CAS No. | 55254-34-7 |
Synthetic Route by SureRoute
2. ACCMTF079 Molecular Building Block Synthetic Route
4-(((2S,3S)-6-((2R,3R)-3-((3-Carboxypropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoic acid
Sodium 4-(((2S,3S)-6-((2R,3R)-3-((3-carboxylatopropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoate
4-(((2R,3R)-6-((2R,3R)-3-((3-Carboxypropanoyl)oxy)-5,7-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methoxy)-4-oxobutanoic acid