5-Hydroxy-2-[4-Methoxy-3-[2-Oxo-2-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazin-1-Yl]Ethoxy]Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
[CAS# 123580-53-0]

Identification

• Name: 5-Hydroxy-2-[4-Methoxy-3-[2-Oxo-2-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazin-1-Yl]Ethoxy]Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
• Synonyms: 5-Hydroxy-2-[4-Methoxy-3-[2-Oxo-2-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazin-1-Yl]Ethoxy]Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 5-Hydroxy-2-[4-Methoxy-3-[2-Oxo-2-[4-[(2,3,4-Trimethoxyphenyl)Methyl]-1-Piperazinyl]Ethoxy]Phenyl]-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 5-Hydroxy-2-[3-[2-Keto-2-[4-(2,3,4-Trimethoxybenzyl)Piperazin-1-Yl]Ethoxy]-4-Methoxy-Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₃₈H₄₄N₂O₁₅
• Molecular Weight: 768.77
• CAS Registry Number: 123580-53-0
• SMILES: [C@H]6(OC5=CC(=C4C(C=C(C1=CC=C(C(=C1)OCC(N2CCN(CC2)CC3=CC=C(C(=C3OC)OC)OC)=O)OC)OC4=C5)=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO
• InChI: 1S/C38H44N2O15/c1-48-25-7-5-20(27-16-24(43)32-23(42)14-22(15-29(32)54-27)53-38-35(47)34(46)33(45)30(18-41)55-38)13-28(25)52-19-31(44)40-11-9-39(10-12-40)17-21-6-8-26(49-2)37(51-4)36(21)50-3/h5-8,13-16,30,33-35,38,41-42,45-47H,9-12,17-19H2,1-4H3/t30-,33-,34+,35-,38-/m1/s1
• InChIKey: CNMUTGICIHOIEX-IHQQTPIISA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 968.681°C at 760 mmHg (Cal.)
• Flash point: 539.639°C (Cal.)