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Home/Compounds/API/Beta-Escin
C55H86O24
1131.3 g/mol
APIWarning

(2S,3S,4S,5R,6R)-6-(((4S,6Bs,8R,9R)-9-Acetyloxy-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-10-((E)-2-Methylbut-2-Enoyl)Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy)-4-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxy-5-((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxane-2-Carboxylic Acid

CAS11072-93-8
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material

Beta-escin is a complex triterpenoid saponin compound used as a pharmaceutical raw material. Its large, flexible structure with multiple undefined stereocenters makes computational modeling challenging.

pharmaceutical manufacturing

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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Related Compounds

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Referencestereoisomer of

Alpha-Aescin

CAS66795-86-6

pharmaceutical raw material

Referencestereoisomer of

Escin Ia

CAS6805-41-0

pharmaceutical raw material

Referencestereoisomer of

Saponin

CAS8047-15-2

pharmaceutical raw material

Safety Reference

Harmful
Harmful
Environmental Hazard
Environmental Hazard
Warning
H302Harmful if swallowed
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
H411Toxic to aquatic life with long lasting effects

Customs Tariff Classification

The international HS code for (2S,3S,4S,5R,6R)-6-(((4S,6Bs,8R,9R)-9-Acetyloxy-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-10-((E)-2-Methylbut-2-Enoyl)Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy)-4-Hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxy-5-((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Oxyoxane-2-Carboxylic Acid (CAS 11072-93-8) is 2938.90.

HS code (international, 6-digit)

2938.90

EU CN code (8-digit)

2938 90 90

Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.

Identifiers
IUPAC Name

(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

InChIKey

AXNVHPCVMSNXNP-YSYFQUGBSA-N

SMILES

C/C=C(\C)/C(=O)OC1[C@@H](C2([C@@H](C[C@@]3(C(=CCC4C3(CCC5C4(CCC([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)C2CC1(C)C)C)O)CO)OC(=O)C

Synonyms (11)
  • AESCINE
  • ?-Aescin
  • Aesculus
  • Beta-Aescin
  • Beta-Aescin, tech.
  • Escin, >=95%, powder
  • b-escin
  • beta-Escin
  • |A-Aescin

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