Products 115784-08-2

CAS 115784-08-2 is the registry number for Condurango glycoside E0. Offered by: MedChemExpress. Available pack sizes: 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

[(3S,8S,9S,10R,11S,12S,13R,14R,17S)-17-acetyl-12-acetyloxy-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-3-phenylprop-2-enoate (CAS 115784-08-2) is a chemical compound with the molecular formula C59H86O23 and a molecular weight of 1163.3 g/mol. IUPAC name: [(3S,8S,9S,10R,11S,12S,13R,14R,17S)-17-acetyl-12-acetyloxy-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-3-phenylprop-2-enoate. InChIKey: XNQFXLGYRMHPNA-FZFXVWQOSA-N.

Identity
Molecular formulaC59H86O23
Molecular weight1163.3 g/mol
IUPAC name[(3S,8S,9S,10R,11S,12S,13R,14R,17S)-17-acetyl-12-acetyloxy-8,14-dihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-3-phenylprop-2-enoate
InChIKeyXNQFXLGYRMHPNA-FZFXVWQOSA-N
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4[C@@H]([C@H]([C@]5([C@H](CC[C@@]5([C@@]4(CC=C3C2)O)O)C(=O)C)C)OC(=O)C)OC(=O)/C=C/C6=CC=CC=C6)C)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC)O)OC

Computed by PubChem (NCBI)