Methyl 2-[(1R,3R,4R)-6-[(4R,6R)-4-Dimethylamino-5-Hydroxy-6-Methyloxan-2-Yl]-4,9-Dihydroxy-1-Methyl-5,10-Dioxo-3,4-Dihydro-1H-Benzo[g]Isochromen-3-Yl]Acetate
[CAS# 160523-76-2]

Identification

• Name: Methyl 2-[(1R,3R,4R)-6-[(4R,6R)-4-Dimethylamino-5-Hydroxy-6-Methyloxan-2-Yl]-4,9-Dihydroxy-1-Methyl-5,10-Dioxo-3,4-Dihydro-1H-Benzo[g]Isochromen-3-Yl]Acetate
• Synonyms: Methyl 2-[(1R,3R,4R)-6-[(4R,6R)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-4,9-Dihydroxy-1-Methyl-5,10-Dioxo-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetate; 2-[(1R,3R,4R)-6-[(4R,6R)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-4,9-Dihydroxy-1-Methyl-5,10-Dioxo-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid Methyl Ester; 2-[(1R,3R,4R)-6-[(4R,6R)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-4,9-Dihydroxy-5,10-Diketo-1-Methyl-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid Methyl Ester
• Molecular Formula: C₂₅H₃₁NO₉
• Molecular Weight: 489.52
• CAS Registry Number: 160523-76-2
• SMILES: [C@@H]4(O)C1=C(C(=O)C2=C(C1=O)C(=CC=C2O)C3O[C@@H](C(O)[C@H](N(C)C)C3)C)[C@H](O[C@@H]4CC(OC)=O)C
• InChI: 1S/C25H31NO9/c1-10-18-21(23(30)16(34-10)9-17(28)33-5)25(32)19-12(6-7-14(27)20(19)24(18)31)15-8-13(26(3)4)22(29)11(2)35-15/h6-7,10-11,13,15-16,22-23,27,29-30H,8-9H2,1-5H3/t10-,11-,13-,15?,16-,22?,23+/m1/s1
• InChIKey: RHBRKICJOIFBBF-GIZPJETISA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 718.394°C at 760 mmHg (Cal.)
• Flash point: 388.271°C (Cal.)