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Escin

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Escin / CAS : 6805-41-0

Appearance Brown yellow to white crystalline powder; Mild qi, bitter taste. UN 3077
HS 29389090 DG Class 9
Synonyms Horse Chestnut Extract; Beta-Aescin; Chestnuts Extract; Aescin; (2S,3S,4S,5R,6R)-6-[[(3S,4R,4Ar,6Ar,6Bs,8R,8As,9S,10S,12Ar,14Ar,14Bs)-9-Acetyloxy-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-4,6A,6B,11,11,14B-Hexamethyl-10-[(Z)-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-3,5-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Oxane-2-Carboxylic Acid; A-4700; Aescusan; Amorphousaescin
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Properties

Summary

Formula
C110H172O48
Molecular Mass
2262.51000
Exact Mass
2261.10000
PSA
776.08000
Logp
-2.64220
IUPAC
(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
SMILES
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C

Attribute classification

Matter Classification
organic
Category
Plant and Other Extracts > Plant Extracts
Cosmetics > Cosmetic Raw Materials

Chemical and Physical Properties

Melting Point
224.5°C
Density
1.46 g/cm3
Boiling Point
1140.6ºC at 760 mmHg
Flash Point
311.8ºC
Appearance
Brown yellow to white crystalline powder; Mild qi, bitter taste.

Export information

HS Code
29389090
Export Rebate
13%
UN No.
3077
DG-Class
9
Risk Code
R22
Safety Label
Xn

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