Escin Ia

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For Research Use Only.

Size	Price	Stock	Quantity
10 mg	$199	In stock

Category

Triterpenoids

Cat.No.

NP7065

CAS

123748-68-5

Product Name

Escin Ia

Structure

Product Details

Description

Escin Ia is a triterpenoid saponin isolated from A. chinensis. It was shown to inhibit HIV-1 protease with IC50 value of 35 μM.

Synonyms

Aescin A; alpha-Escin

IUPAC Name

(2S,3S,4S,5R,6R)-6-[[(3S,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-[(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-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid

Molecular Weight

1131.3

Molecular Formula

C55H86O24

Canonical 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

InChI

InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1

InChIKey

AXNVHPCVMSNXNP-IVKVKCDBSA-N

Boiling Point

1140.6±65.0 °C at 760 mmHg

Flash Point

311.8±27.8 °C

Purity

>98%

Density

1.46

Solubility

In Vitro:
DMSO : 100 mg/mL(88.40 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline
Solubility: ≥ 2.5 mg/mL (2.21 mM); Clear solution

Appearance

Powder

Storage

4°C, protect from light
* In solvent :
-80°C, 6 months
-20°C, 1 month (protect from light)

Form

Powder

Packaging

10 mg

Vapor Pressure

0.0±0.6 mmHg at 25°C

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