Acersaponin I

Inquiry

For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7025

CAS

1257940-29-6

Product Name

Acersaponin I

Structure

Product Details

Description

Acersaponin I, a triterpenoid saponin discovered in maple leaves, is utilized in the biomedical field for its anti-inflammatory properties and potential cancer-fighting abilities. Its effectiveness has been demonstrated through research, leading to its application in inflammation-related diseases and as a potential drug in cancer treatments.

Synonyms

β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,23,28-trihydroxy-21,22-bis[[(2Z)-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-21,22-bis[[(2Z)-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-9,10-bis[[(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

Molecular Weight

1171.33

Molecular Formula

C58H90O24

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(=CC)C

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-RBZZEQRPSA-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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