(1R,6R,9R)-6,9,11-Trihydroxy-4,7-megastigmadien-3-one 11-O-glucoside
Description
(1R,6R,9R)-6,9,11-Trihydroxy-4,7-megastigmadien-3-one 11-O-glucoside is a scientifically formulated derivative, exhibiting remarkable oncological implications due to prominent anti-carcinogenic properties. With substantial cytotoxicity against numerous malignant cell lines, its profound applicability in pioneering cancer research.
Synonyms
2-Cyclohexen-1-one, 5-[(β-D-glucopyranosyloxy)methyl]-4-hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5-dimethyl-, (4R,5R)-; (1R,6R,9R)-6,9,11-Trihydroxy-4-megastigmen-3-one 11-O-beta-D-glucopyranoside
IUPAC Name
(4R,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
Molecular Formula
C19H30O9
Canonical SMILES
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13-,14-,15+,16-,17-,18-,19-/m1/s1
InChIKey
UUUMPMJOJKTIFJ-ZFEHLXLZSA-N
Boiling Point
640.7±55.0°C (Predicted)
Density
1.39±0.1 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate