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CAS 65931-92-2

:

29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate

Description:
The chemical substance known as "29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate," with the CAS number 65931-92-2, is a complex triterpenoid glycoside. It features a pentacyclic structure characteristic of oleanane-type compounds, which are derived from the oleanolic acid family. This compound is notable for its glycosylation, where sugar moieties are attached to the aglycone, enhancing its solubility and biological activity. The presence of multiple hydroxyl groups contributes to its potential as a bioactive agent, with studies suggesting various pharmacological properties, including anti-inflammatory and antioxidant effects. The specific arrangement of functional groups, including the methyl and glycosyl substituents, plays a crucial role in its interaction with biological systems. Such compounds are often investigated for their therapeutic potential in traditional medicine and modern pharmacology, particularly in the context of natural product chemistry.
Formula:C42H66O15
InChI:InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
InChI key:InChIKey=NMDFCFOQBAHNPV-RFTJXAPBSA-N
SMILES:C(O)(=O)[C@]12[C@](C=3[C@](C)([C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CO6)CC5)[H])[H])CC1)(C[C@](C(OC)=O)(C)CC2)[H]
Synonyms:
  • Phytolaccoside D
  • 29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
  • Olean-12-ene-28,29-dioic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-, 29-methyl ester, (3β,4α,20β)-
  • Esculentoside C
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