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CAS 93771-82-5

:

Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-

Description:
Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-, identified by CAS number 93771-82-5, is a complex organic compound belonging to the class of bufadienolides, which are steroidal compounds derived from toads. This substance features a unique structure characterized by multiple functional groups, including an acetoxy group and a sugar moiety, which contribute to its biological activity. Bufadienolides are known for their potential pharmacological properties, including cardiotonic effects and cytotoxicity against certain cancer cell lines. The presence of hydroxyl and keto groups in its structure suggests it may participate in various chemical reactions, influencing its solubility and reactivity. Additionally, the stereochemistry indicated by the (3β,5β) configuration plays a crucial role in determining its biological interactions and efficacy. Overall, Bufa-20,22-dienolide represents a fascinating area of study in medicinal chemistry and natural product research, with implications for drug development and therapeutic applications.
Formula:C32H44O12
InChI:InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1
InChI key:InChIKey=IDZGCABQJKWSHL-GSMIIGJLSA-N
SMILES:C(=O)[C@]12[C@](OC(C)=O)(CC[C@@]3([C@@]1(CC[C@@]4(C)[C@]3(O)CC[C@@H]4C=5C=CC(=O)OC5)[H])[H])C[C@@H](OC([C@@H]([C@@H]([C@H]([C@H](C)O)O)O)O)=O)CC2
Synonyms:
  • Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-
  • Lanceotoxin A
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