Account Isoaesculioside D
- Catalog No. :
- ACIDUV649
- CAS No. :
- 1184581-59-6
- Molecular Formula :
- C58H90O24
- Molecular Weight :
- 1171.33
IUPAC Name:(2S,3S,4S,5R,6R)-4-hydroxy-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(((E)-2-methylbut-2-enoyl)oxy)-10-(((Z)-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)-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
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Product Information
| Product Name | Isoaesculioside D |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-4-hydroxy-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(((E)-2-methylbut-2-enoyl)oxy)-10-(((Z)-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)-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 |
| Molecular Formula | C58H90O24 |
| Molecular Weight | 1171.33 |
| SMILES | OC[C@]12[C@](CC(C)([C@H]([C@@H]2OC(/C(C)=C/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 | YUWQEHOPYCXSDK-GFABUGSGSA-N |
| Synonym | Isoaesculioside D;β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-22-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]- |
| CAS No. | 1184581-59-6 |
Synthetic Route by SureRoute
2. ACIDUV649 Molecular Building Block Synthetic Route
(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
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