(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-9-[[1-(Phenylmethyl)-4-Piperidyl]Amino]-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
[CAS 152833-13-1]

Identification

• Name: (5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-9-[[1-(Phenylmethyl)-4-Piperidyl]Amino]-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
• Synonyms: (5R,5Ar,8As,9S)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-9-[[1-(Phenylmethyl)-4-Piperidinyl]Amino]-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; (5R,5Ar,8As,9S)-9-[[1-(Benzyl)-4-Piperidyl]Amino]-5-(4-Hydroxy-3,5-Dimethoxy-Phenyl)-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; Mls000697720
• Molecular Formula: C₃₃H₃₆N₂O₇
• Molecular Weight: 572.66
• CAS Registry Number: 152833-13-1
• SMILES: [C@@H]3([C@@H]6[C@@H]([C@H](NC1CCN(CC1)CC2=CC=CC=C2)C5=C3C=C4OCOC4=C5)COC6=O)C7=CC(=C(O)C(=C7)OC)OC
• InChI: 1S/C33H36N2O7/c1-38-27-12-20(13-28(39-2)32(27)36)29-22-14-25-26(42-18-41-25)15-23(22)31(24-17-40-33(37)30(24)29)34-21-8-10-35(11-9-21)16-19-6-4-3-5-7-19/h3-7,12-15,21,24,29-31,34,36H,8-11,16-18H2,1-2H3/t24-,29+,30-,31+/m0/s1
• InChIKey: GQMFUALQPLOONU-QIXIFPRPSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 729.723°C at 760 mmHg (Cal.)
• Flash point: 395.123°C (Cal.)