CAS 289649-54-3

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-

Description:

Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, with the CAS number 289649-54-3, is a complex triterpenoid saponin derived from natural sources, particularly plants. This compound features a pentacyclic structure characteristic of oleanolic acid derivatives, which contributes to its biological activity. The presence of multiple sugar moieties, including β-D-glucopyranosyl and α-L-arabinopyranosyl units, enhances its solubility and potential bioactivity, making it of interest in pharmacological studies. Oleanolic acid derivatives are known for their anti-inflammatory, antioxidant, and hepatoprotective properties. The specific stereochemistry, indicated by the (3β,16α) configuration, plays a crucial role in determining the compound's interaction with biological targets. Overall, this compound exemplifies the structural diversity and functional potential of natural products in medicinal chemistry, highlighting the importance of glycosylation in modulating the properties of triterpenoids.

Formula: C₄₇H₇₆O₁₈

InChI: InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47+/m0/s1

InChI key: InChIKey=DYJBTUINEBYYQT-WLKJUBLPSA-N

SMILES: C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(C[C@H]2O)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)CO7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Synonyms:

• Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-
• Araliasaponin I (Aralia elata)
• Araliasaponin I
• Olean-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)- (9CI)

Aralia-saponin I

CAS: 289649-54-3

Aralia-saponin I is a saponin that can be isolated from Aralia elata, possessing a high binding affinity for aerolysin. It interacts with essential amino acids critical to the function of aerolysin. Aralia-saponin I is utilized in studies involving Aeromonas hydrophila infections.

Formula: C₄₇H₇₆O₁₈

Color and Shape: Solid

Molecular weight: 929.1

Ref: TM-TN8457