(5S,5aS,8aR,9R)-5-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-8-One
[CAS# 125830-36-6]

Identification

• Name: (5S,5aS,8aR,9R)-5-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,6,8a,9-Tetrahydro-5H-Isobenzofurano[5,6-f][1,3]Benzodioxol-8-One
• Synonyms: (5S,5As,8Ar,9R)-5-[(4-Fluorophenyl)Amino]-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,6,8A,9-Tetrahydro-5H-Isobenzofurano[5,6-F][1,3]Benzodioxol-8-One; Nsc-628679; Npf-Etoposide
• Molecular Formula: C₂₇H₂₄FNO₇
• Molecular Weight: 493.49
• CAS Registry Number: 125830-36-6
• SMILES: [C@H]46[C@@H]([C@H](NC1=CC=C(F)C=C1)C3=CC2=C(OCO2)C=C3[C@H]4C5=CC(=C(O)C(=C5)OC)OC)COC6=O
• InChI: 1S/C27H24FNO7/c1-32-21-7-13(8-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)29-15-5-3-14(28)4-6-15/h3-10,18,23-25,29-30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1
• InChIKey: OWZJVOYADMZDSO-LVEBQJTPSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 689.667°C at 760 mmHg (Cal.)
• Flash point: 370.898°C (Cal.)