Ankinomycin
[CAS# 119725-31-4]

Identification

• Name: Ankinomycin
• Synonyms: 10-(3-Dimethylamino-4-Hydroxy-3,5-Dimethyl-Tetrahydropyran-2-Yl)-11-Hydroxy-5-Methyl-2-[2-Methyl-3-(3-Methyloxiran-2-Yl)Oxiran-2-Yl]Naphtho[2,3-H]Chromene-4,7,12-Trione; 10-(3-Dimethylamino-4-Hydroxy-3,5-Dimethyl-2-Tetrahydropyranyl)-11-Hydroxy-5-Methyl-2-[2-Methyl-3-(3-Methyl-2-Oxiranyl)-2-Oxiranyl]Naphtho[2,3-H]Chromene-4,7,12-Trione; 10-(3-Dimethylamino-4-Hydroxy-3,5-Dimethyl-Oxan-2-Yl)-11-Hydroxy-5-Methyl-2-[2-Methyl-3-(3-Methyloxiran-2-Yl)Oxiran-2-Yl]Naphtho[2,3-H]Chromene-4,7,12-Trione
• Molecular Formula: C₃₃H₃₅NO₉
• Molecular Weight: 589.64
• CAS Registry Number: 119725-31-4
• SMILES: C1=C(C(=C3C(=C1)C(C2=CC(=C4C(=C2C3=O)OC(=CC4=O)C6(C(C5OC5C)O6)C)C)=O)O)C7OCC(C(C7(N(C)C)C)O)C
• InChI: 1S/C33H35NO9/c1-13-10-18-23(28-21(13)19(35)11-20(42-28)33(5)31(43-33)27-15(3)41-27)26(38)22-16(24(18)36)8-9-17(25(22)37)30-32(4,34(6)7)29(39)14(2)12-40-30/h8-11,14-15,27,29-31,37,39H,12H2,1-7H3
• InChIKey: VAWJCVXSOVKIMR-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 781.666°C at 760 mmHg (Cal.)
• Flash point: 426.536°C (Cal.)