Account (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-Acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACXLIJ243
- CAS No. :
- 123748-68-5
- Molecular Formula :
- C55H86O24
- Molecular Weight :
- 1131.27
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
5mg98%$89.00Login to see priceIn stockInquiry
10mg98%$139.00Login to see priceIn stockInquiry
25mg98%$239.00Login to see priceIn stockInquiry
50mg98%$338.00Login to see priceIn stockInquiry
100mg98%$504.00Login to see priceIn stockInquiry
250mg98%$889.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-Acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | MFCD10566608 |
| Molecular Formula | C55H86O24 |
| Molecular Weight | 1131.27 |
| SMILES | OC[C@]12[C@](CC(C)([C@H]([C@@H]2OC(C)=O)OC(/C(C)=C/C)=O)C)([H])C3=CC[C@@]([C@@]4([C@@]([C@](C)([C@H](CC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)CO)([H])CC8)C)([H])[C@]8(C)[C@@]3(C[C@H]1O)C |
| InChI Key | AXNVHPCVMSNXNP-IVKVKCDBSA-N |
| Synonym | alpha-Aescusan | MS-31999 | Q27282901 | alpha-Reparil | HY-N0554 | escin Ia | UNII-LB5DJT9FIW | Escin alpha-escin [MI] | EX-A6780 | .alpha.-Escin | beta-Escin | .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.)-22-(ACETYLO |
| CAS No. | 123748-68-5 |
| PubChem CID | 6476030 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACXLIJ243 Molecular Building Block Synthetic Route
beta-Escin
(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Aesculioside D