Account (1S,4aS,6S,7R,7aS)-6-((2,3-Dihydroxybenzoyl)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
- Catalog No. :
- ACDNUV861
- CAS No. :
- 157722-21-9
- Molecular Formula :
- C23H28O13
- Molecular Weight :
- 512.46
IUPAC Name:(1S,4aS,6S,7R,7aS)-6-((2,3-dihydroxybenzoyl)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
![(1S,4aS,6S,7R,7aS)-6-((2,3-Dihydroxybenzoyl)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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,4aS,6S,7R,7aS)-6-((2,3-Dihydroxybenzoyl)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 |
|---|---|
| IUPAC Name | (1S,4aS,6S,7R,7aS)-6-((2,3-dihydroxybenzoyl)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 |
| MDL No. | - |
| Molecular Formula | C23H28O13 |
| Molecular Weight | 512.46 |
| SMILES | O=C(C1=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@@]3([H])[C@]1([H])C[C@H](OC(C4=CC=CC(O)=C4O)=O)[C@@H]3C)O |
| InChI Key | CAKNXIQZWKLNKL-AOLCZBGXSA-N |
| Synonym | Gentiournoside D;Cyclopenta[c]pyran-4-carboxylic acid, 6-[(2,3-dihydroxybenzoyl)oxy]-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,6S,7R,7aS)- |
| CAS No. | 157722-21-9 |
Synthetic Route by SureRoute
2. ACDNUV861 Molecular Building Block Synthetic Route
(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
(1S,4aS,7S,7aS)-1-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-3-((4-hydroxybenzoyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid