Oleandrin
[CAS# 53177-88-1]

Identification

• Name: Oleandrin
• Synonyms: [(3S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[(2R,4S,5S,6S)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [(3S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[[(2R,4S,5S,6S)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(3S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[(2R,4S,5S,6S)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₃₂H₄₈O₉
• Molecular Weight: 576.73
• CAS Registry Number: 53177-88-1
• SMILES: [C@]25([C@@]([C@@H](C1=CC(=O)OC1)[C@H](C2)OC(=O)C)(CCC6[C@]4(CC[C@H](O[C@@H]3O[C@H]([C@H](O)[C@H](C3)OC)C)CC4CCC56)C)C)O
• InChI: 1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22?,23?,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
• InChIKey: JLPDBLFIVFSOCC-KRNKPDPWSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 693.669°C at 760 mmHg (Cal.)
• Flash point: 217.166°C (Cal.)