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CAS 152845-76-6

:

(3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid

Description:
The chemical substance known as (3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid, with the CAS number 152845-76-6, is a triterpenoid compound derived from oleanolic acid. It features a complex structure characterized by multiple hydroxyl groups, which contribute to its potential biological activities. The presence of the oxo group at the 23rd position and the double bond in the oleanene framework are significant for its reactivity and interaction with biological systems. This compound is of interest in pharmacology and natural product chemistry due to its potential anti-inflammatory, antioxidant, and anticancer properties. Its stereochemistry, particularly at the 3, 4, and 21 positions, plays a crucial role in determining its biological activity and interaction with cellular targets. Research into this compound may reveal insights into its mechanisms of action and therapeutic applications, particularly in the context of traditional medicine and modern drug development.
Formula:C30H46O5
InChI:InChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23-,26-,27-,28+,29+,30+/m0/s1
InChI key:InChIKey=MFGKQCGZFKURGT-BGSMKCEQSA-N
SMILES:C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O)CC5)[H])[H])(CC(C)(C)[C@@H](O)C2)[H]
Synonyms:
  • (3beta,5xi,18alpha,21beta)-3,21-dihydroxy-23-oxoolean-12-en-28-oic acid
  • 21-Hydroxygypsogenin
  • Olean-12-en-28-oic acid, 3,21-dihydroxy-23-oxo-, (3β,4α,21β)-
  • Lucyin A
  • (3β,4α,21β)-3,21-Dihydroxy-23-oxoolean-12-en-28-oic acid
  • Olean-12-en-28-oic acid, 3,21-dihydroxy-23-oxo-, (3beta,4alpha,21beta)-
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