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CAS 1617-69-2

:

Lup-20(29)-en-3-ol, 3-benzoate, (3β)-

Description:
Lup-20(29)-en-3-ol, 3-benzoate, (3β)-, with CAS number 1617-69-2, is a chemical compound belonging to the class of triterpenoids, specifically a derivative of lupane. This compound features a lupane skeleton, characterized by a tetracyclic structure, which is typical of many natural products derived from plants. The presence of a benzoate group indicates that it has been esterified with benzoic acid, enhancing its solubility and potentially influencing its biological activity. The (3β)- designation refers to the specific stereochemistry at the 3-position of the molecule, which can significantly affect its interaction with biological systems. Triterpenoids like this compound are often studied for their pharmacological properties, including anti-inflammatory, antimicrobial, and anticancer activities. Additionally, they may play a role in plant defense mechanisms. Overall, Lup-20(29)-en-3-ol, 3-benzoate, (3β)- is of interest in both natural product chemistry and medicinal research due to its structural complexity and potential therapeutic applications.
Formula:C37H54O2
InChI:InChI=1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1
InChI key:InChIKey=GGGPJWXHMZSCEW-WEZIXBNWSA-N
SMILES:C[C@]12[C@@]([C@@]3([C@@](C)(CC1)CC[C@H]3C(C)=C)[H])(CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](OC(=O)C6=CC=CC=C6)C5(C)C)[H])[H])[H]
Synonyms:
  • Lup-20(29)-en-3-ol, benzoate, (3β)-
  • Lup-20(29)-en-3β-ol, benzoate
  • Lup-20(30)-en-3β-ol, benzoate
  • Lup-20(29)-en-3-ol, 3-benzoate, (3β)-
  • Lupeol benzoate
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