Isoaesculioside D

Inquiry

For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7121

CAS

1184581-59-6

Product Name

Isoaesculioside D

Structure

Product Details

Description

Isoaesculioside D, a naturally-occurring compound, possesses exciting anti-inflammatory and anti-cancer properties, offering potential therapeutic applications in the treatment of cancer and inflammatory conditions. This compound, through its ability to inhibit the growth of selected cancer cells and decrease inflammation in animal models, has demonstrated its immense value in the pharmaceutical industry. Its bioactive nature warrants further investigation into its potential for curing cancers and alleviating inflammation in humans.

Synonyms

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)]-; (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)]-β-D-glucopyranosiduronic acid

IUPAC Name

(2S,3S,4S,5R,6R)-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-10-[(Z)-2-methylbut-2-enoyl]oxy-9-[(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

1171.33

Molecular Formula

C58H90O24

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)C(OC(=O)C(=CC)C)C(OC(=O)C(=CC)C)C6(CO)C(O)CC54C)C2(C)CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1OC8OC(CO)C(O)C(O)C8O

InChI

InChI=1S/C58H90O24/c1-11-25(3)48(73)81-45-46(82-49(74)26(4)12-2)58(24-62)28(19-53(45,5)6)27-13-14-32-54(7)17-16-34(55(8,23-61)31(54)15-18-56(32,9)57(27,10)20-33(58)63)77-52-43(79-51-40(69)38(67)36(65)30(22-60)76-51)41(70)42(44(80-52)47(71)72)78-50-39(68)37(66)35(64)29(21-59)75-50/h11-13,28-46,50-52,59-70H,14-24H2,1-10H3,(H,71,72)/b25-11-,26-12+/t28-,29+,30+,31+,32+,33+,34-,35+,36+,37-,38-,39+,40+,41-,42-,43+,44-,45-,46-,50-,51-,52+,54-,55+,56+,57+,58-/m0/s1

InChIKey

YUWQEHOPYCXSDK-GFABUGSGSA-N

Boiling Point

1161.8±65.0°C (Predicted)

Purity

≥95%

Density

1.44±0.1 g/cm3 (Predicted)

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

Appearance

Powder

Storage

Store at -20°C

Form

Powder

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