Account (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-carboxylic acid
- Catalog No. :
- ACBLZO240
- CAS No. :
- 28831-65-4
- Molecular Formula :
- C27H22O12
- Molecular Weight :
- 538.46
IUPAC Name:(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-carboxylic acid
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Product Information
| Product Name | (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-carboxylic acid |
|---|---|
| IUPAC Name | (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-carboxylic acid |
| MDL No. | - |
| Molecular Formula | C27H22O12 |
| Molecular Weight | 538.46 |
| SMILES | O=C([C@@H]1[C@@H](C2=CC=C(O)C(O)=C2)OC3=C(O)C=CC(/C=C/C(O[C@@H](C(O)=O)CC4=CC=C(O)C(O)=C4)=O)=C13)O |
| InChI Key | UJZQBMQZMKFSRV-RGKBJLTCSA-N |
| Synonym | Lithospermic acid | 28831-65-4 | LITHOSPERMIC ACID A | UNII-100IP83JAC | 100IP83JAC | CHEMBL518243 | 4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid | LITHOSPERMIC ACID, (+)- | (2S |
| CAS No. | 28831-65-4 |
| PubChem CID | 6441498 |
Synthetic Route by SureRoute
2. ACBLZO240 Molecular Building Block Synthetic Route
4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid
(R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-((2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(methoxycarbonyl)-2,3-dihydrobenzofuran-4-yl)acryloyl)oxy)propanoic acid
(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