Account 3,5,6,8-Tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid
- Catalog No. :
- ACBRIE298
- CAS No. :
- 1260-17-9
- Molecular Formula :
- C22H20O13
- Molecular Weight :
- 492.39
IUPAC Name:3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid
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Product Information
| Product Name | 3,5,6,8-Tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid |
|---|---|
| IUPAC Name | 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid |
| MDL No. | MFCD00167028 |
| Molecular Formula | C22H20O13 |
| Molecular Weight | 492.39 |
| SMILES | CC1=C(C(O)=O)C(O)=CC2=C1C(=O)C1=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C(O)=C1C2=O |
| InChI Key | DGQLVPJVXFOQEV-JNVSTXMASA-N |
| Synonym | CARMINIC ACID | CI 75470 [INCI] | HY-N8407 | Tox21_201979 | MFCD00167028 | SMR001397048 | NSC 6196 | W-108224 | CARMINIC ACID [HSDB] | 7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid | C.I. Natural red 4 | doi:10.1 |
| CAS No. | 1260-17-9 |
| PubChem CID | 10255083 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACBRIE298 Molecular Building Block Synthetic Route
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid
lithium 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylate
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