C55H86O24
1131.3 g/mol
APIWarning
Alpha-Aescin
CAS66795-86-6EC266-482-1
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Alpha-Aescin is a saponin compound used as a pharmaceutical active ingredient, primarily sourced from the horse chestnut plant. It is characterized by a complex, multi-ring structure with multiple hydroxyl and ether groups, contributing to its high polarity and water solubility.
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 66795-86-6
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Safety Reference
Warning
H302Harmful if swallowed
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
Identifiers
IUPAC Name
(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
InChIKey
AXNVHPCVMSNXNP-FPFZDEADSA-N
SMILES
CC=C(C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
Synonyms (3)
- alpha-Aescin
- alpha-Aescusan
- alpha-Reparil