Account (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
- Catalog No. :
- ACHTBV100
- CAS No. :
- 82451-20-5
- Molecular Formula :
- C23H28O12
- Molecular Weight :
- 496.46
IUPAC Name:(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)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C23H28O12 |
| Molecular Weight | 496.46 |
| SMILES | C[C@]1(O)CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C3=CC=C(O)C=C3)[C@@H]21 |
| InChI Key | RFCSGMIUBXUYSE-KLZCBZFCSA-N |
| Synonym | (1S,4aS,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-7-hydroxy-1-[[2-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]-7-methyl-cyclopenta[c]pyran-4-carboxylic acid;2′-p-Hydroxybenzoyl mussaenosidic acid;Negundoside;Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-[[2-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]-7-methyl-, (1S,4aS,7S,7aS)-;Negundoside (50 mg) ((1S,4aS,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-7-hydroxy-1-{[2-O-(4-hydroxybenzoyl)-beta-D- glucopyranosyl;Negundoside-RM |
| CAS No. | 82451-20-5 |
Synthetic Route by SureRoute
2. ACHTBV100 Molecular Building Block Synthetic Route
(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
(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,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