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CAS 116387-44-1

:

(3β)-3-[(6-Deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-4,5-epoxy-14-hydroxybufa-20,22-dienolide

Description:
The chemical substance known as (3β)-3-[(6-Deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-4,5-epoxy-14-hydroxybufa-20,22-dienolide, with the CAS number 116387-44-1, is a complex organic compound that belongs to the class of bufadienolides, which are steroidal compounds derived from toads and certain plants. This substance features a unique structure characterized by a bufanolide core, which includes a 4,5-epoxy group and a hydroxyl group at the 14-position, contributing to its biological activity. The presence of a sugar moiety, specifically a 6-deoxy-3-O-methyl-α-L-mannopyranosyl group, enhances its solubility and potential bioactivity, making it of interest in pharmacological research. Bufadienolides are known for their cardiotonic effects and potential therapeutic applications, including anti-cancer properties. The intricate stereochemistry and functional groups present in this compound suggest that it may interact with biological systems in specific ways, warranting further investigation into its pharmacodynamics and potential medicinal uses.
Formula:C31H44O9
InChI:InChI=1S/C31H44O9/c1-16-23(33)25(36-4)24(34)27(38-16)39-21-10-12-29(3)19-7-11-28(2)18(17-5-6-22(32)37-15-17)8-13-30(28,35)20(19)9-14-31(29)26(21)40-31/h5-6,15-16,18-21,23-27,33-35H,7-14H2,1-4H3/t16-,18+,19-,20+,21-,23-,24+,25+,26?,27-,28+,29+,30-,31?/m0/s1
InChI key:InChIKey=ZXTOHKKHNURMFY-FWYUESJRSA-N
SMILES:C[C@@]12C3(C(O3)([C@@H](O[C@H]4[C@H](O)[C@H](OC)[C@@H](O)[C@H](C)O4)CC1)[H])CC[C@@]5([C@@]2(CC[C@@]6(C)[C@]5(O)CC[C@@H]6C=7C=CC(=O)OC7)[H])[H]
Synonyms:
  • Bufa-20,22-dienolide, 3-[(6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-4,5-epoxy-14-hydroxy-, (3β)-
  • P 35
  • (3β)-3-[(6-Deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-4,5-epoxy-14-hydroxybufa-20,22-dienolide
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