Description
14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide is a remarkable natural compound renowned for its immense potential in studying an array of ailments such as cancer, inflammation and cardiovascular maladies. By proficiently deterring neoplastic proliferation and instigating apoptosis, this natural compound exhibits unyielding anticancer prowess.
Synonyms
AKOS040762541; 14??,16??-Dihydroxy-3??-(??-D-glucopyranosyloxy)-5??-bufa-20,22-dienolide; 1323952-04-0
IUPAC Name
5-[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Formula
C30H44O10
Canonical SMILES
CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)O)O)C)OC6C(C(C(C(O6)CO)O)O)O
InChI
InChI=1S/C30H44O10/c1-28-9-7-17(39-27-26(36)25(35)24(34)21(13-31)40-27)11-16(28)4-5-19-18(28)8-10-29(2)23(20(32)12-30(19,29)37)15-3-6-22(33)38-14-15/h3,6,14,16-21,23-27,31-32,34-37H,4-5,7-13H2,1-2H3/t16-,17-,18-,19+,20-,21+,23-,24+,25-,26+,27+,28-,29+,30-/m0/s1
InChIKey
QIVAZRNVKKOUNT-WQXIAEFUSA-N