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CAS 53043-29-1

:

(3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

Description:
The chemical substance known as (3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid, with the CAS number 53043-29-1, is a complex triterpenoid saponin. It features a core oleanolic acid structure, which is characterized by a pentacyclic triterpene framework. The presence of multiple sugar moieties, specifically galactose and glucose units, indicates its glycosidic nature, contributing to its solubility and biological activity. This compound is typically found in various plant species and is known for its potential pharmacological properties, including anti-inflammatory and antioxidant effects. The intricate glycosidic linkages enhance its interaction with biological systems, making it of interest in medicinal chemistry and natural product research. Its structural complexity and the presence of functional groups suggest that it may exhibit a range of biological activities, which are currently under investigation in various studies.
Formula:C48H78O18
InChI:InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1
InChI key:InChIKey=TYICKMXQSIBGGU-MFGNEZQYSA-N
SMILES:C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](CO)O6)CC5)[H])[H]
Synonyms:
  • Oleanoglycotoxin B
  • (3β)-3-[(O-β-D-Galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid
  • Olean-12-en-28-oic acid, 3-[(O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-
  • Lemmatoxin
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