(5R,5aR,8aS,9S)-9-(3-Dimethylaminopropylamino)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
[CAS 152833-16-4]

Identification

• Name: (5R,5aR,8aS,9S)-9-(3-Dimethylaminopropylamino)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
• Synonyms: (5R,5Ar,8As,9S)-9-(3-Dimethylaminopropylamino)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; 4'-O-Demethyl-4-((3''-(Dimethylamino)Propyl)Amino)-4-Desoxypodophyllotoxin; 9-((3-(Dimethylamino)Propyl)Amino)-5,8,8A,9-Tetrahydro-5-(4-Hydroxy-3,5-Dimethoxyphenyl)Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One (5R-(5Alpha,5Abeta,8Aalpha,9Beta))-
• Molecular Formula: C₂₆H₃₂N₂O₇
• Molecular Weight: 484.55
• CAS Registry Number: 152833-16-4
• SMILES: [C@@H]1([C@@H]4[C@@H]([C@H](NCCCN(C)C)C3=C1C=C2OCOC2=C3)COC4=O)C5=CC(=C(O)C(=C5)OC)OC
• InChI: 1S/C26H32N2O7/c1-28(2)7-5-6-27-24-16-11-19-18(34-13-35-19)10-15(16)22(23-17(24)12-33-26(23)30)14-8-20(31-3)25(29)21(9-14)32-4/h8-11,17,22-24,27,29H,5-7,12-13H2,1-4H3/t17-,22+,23-,24+/m0/s1
• InChIKey: YPFPNLDTVOTTIA-QQJYNPJZSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 652.644°C at 760 mmHg (Cal.)
• Flash point: 348.507°C (Cal.)