3,7,8,10,12b-Pentahydroxy-9,12-Dimethoxy-3-(1-Methylaziridin-2-Yl)-2,4,4a,5-Tetrahydrobenzo[c]Anthracene-1,6-Dione
[CAS# 154163-93-6]

Identification

• Name: 3,7,8,10,12b-Pentahydroxy-9,12-Dimethoxy-3-(1-Methylaziridin-2-Yl)-2,4,4a,5-Tetrahydrobenzo[c]Anthracene-1,6-Dione
• Synonyms: 3,7,8,10,12B-Pentahydroxy-9,12-Dimethoxy-3-(1-Methyl-2-Aziridinyl)-2,4,4A,5-Tetrahydrobenzo[C]Anthracene-1,6-Dione; 3,7,8,10,12B-Pentahydroxy-9,12-Dimethoxy-3-(1-Methylethylenimin-2-Yl)-2,4,4A,5-Tetrahydrobenzo[C]Anthracene-1,6-Quinone; Benz(A)Anthracene-1,6(2H,5H)-Dione, 3,4,4A,12B-Tetrahydro-9,12-Dimethoxy-3-(1-Methyl-2-Aziridinyl)-3,7,8,10,12B-Pentahydroxy-
• Molecular Formula: C₂₃H₂₅NO₉
• Molecular Weight: 459.45
• CAS Registry Number: 154163-93-6
• SMILES: C1=C(O)C(=C(O)C5=C1C(=C4C3(O)C(CC(O)(C2N(C2)C)CC3=O)CC(=O)C4=C5O)OC)OC
• InChI: 1S/C23H25NO9/c1-24-8-13(24)22(30)6-9-4-11(25)16-17(23(9,31)14(27)7-22)20(32-2)10-5-12(26)21(33-3)19(29)15(10)18(16)28/h5,9,13,26,28-31H,4,6-8H2,1-3H3
• InChIKey: FGEKNLXFZXJGOO-UHFFFAOYSA-N

Properties

• Density: 1.619g/cm³ (Cal.)
• Boiling point: 706.597°C at 760 mmHg (Cal.)
• Flash point: 381.136°C (Cal.)