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CAS 182132-59-8

:

Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-

Description:
Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-, identified by CAS number 182132-59-8, is a complex organic compound characterized by its unique structural features. It belongs to the class of ursane-type triterpenoids, which are known for their diverse biological activities. The presence of a dioic acid functional group indicates that it contains two carboxylic acid moieties, contributing to its potential acidity and reactivity. The compound also features a glycosylated moiety, specifically a β-D-galactopyranosyl unit, which suggests that it may exhibit specific interactions with biological systems, potentially influencing its solubility and bioavailability. The (3β)- designation indicates the stereochemistry at the 3-position of the ursane skeleton, which can affect the compound's biological activity and interaction with receptors. Overall, this compound's structural complexity and functional groups may confer various pharmacological properties, making it of interest in medicinal chemistry and natural product research.
Formula:C39H60O9
InChI:InChI=1S/C39H60O9/c1-20-12-17-38(32(41)42)18-19-39(33(43)44)23(27(38)21(20)2)10-11-25-36(8)15-14-26(34(4,5)24(36)13-16-37(25,39)9)46-31-28(40)30-29(22(3)45-31)47-35(6,7)48-30/h10,20-22,24-31,40H,11-19H2,1-9H3,(H,41,42)(H,43,44)/t20-,21+,22-,24+,25-,26+,27+,28-,29+,30-,31+,36+,37-,38+,39-/m1/s1
InChI key:InChIKey=PJTJSVDBSNUINC-MICCIQSSSA-N
SMILES:C(O)(=O)[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@H]3C)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O)[C@@]7([C@]([C@@H](C)O6)(OC(C)(C)O7)[H])[H])C5(C)C)[H])[H]
Synonyms:
  • Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-
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