[9-hydroxy-5,6-dimethyl-3-(5-phenylpentan-2-yloxy)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-1-yl] ethanoate
[CAS# 78513-74-3]

Identification

• Name: [9-hydroxy-5,6-dimethyl-3-(5-phenylpentan-2-yloxy)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-1-yl] ethanoate
• Synonyms: [9-Hydroxy-5,6-Dimethyl-3-(1-Methyl-4-Phenyl-Butoxy)-6A,7,8,9,10,10A-Hexahydro-6H-Phenanthridin-1-Yl] Acetate; Acetic Acid [9-Hydroxy-5,6-Dimethyl-3-(1-Methyl-4-Phenylbutoxy)-6A,7,8,9,10,10A-Hexahydro-6H-Phenanthridin-1-Yl] Ester; Acetic Acid [9-Hydroxy-5,6-Dimethyl-3-(1-Methyl-4-Phenyl-Butoxy)-6A,7,8,9,10,10A-Hexahydro-6H-Phenanthridin-1-Yl] Ester
• Molecular Formula: C₂₈H₃₇NO₄
• Molecular Weight: 451.60
• CAS Registry Number: 78513-74-3
• SMILES: C1=C(C=CC=C1)CCCC(C)OC2=CC4=C(C(=C2)OC(=O)C)C3CC(O)CCC3C(C)N4C
• InChI: 1S/C28H37NO4/c1-18(9-8-12-21-10-6-5-7-11-21)32-23-16-26-28(27(17-23)33-20(3)30)25-15-22(31)13-14-24(25)19(2)29(26)4/h5-7,10-11,16-19,22,24-25,31H,8-9,12-15H2,1-4H3
• InChIKey: TYTNJHKTKQNNKL-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 612.86°C at 760 mmHg (Cal.)
• Flash point: 324.446°C (Cal.)