Ethyl (E)-2-[[8-Acetyl-10-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-8,12-Dihydroxy-1-Methoxy-6,11-Dioxo-9,10-Dihydro-7H-Tetracen-5-Yl]Amino]But-2-Enoate
[CAS# 123618-02-0]

Identification

• Name: Ethyl (E)-2-[[8-Acetyl-10-(4-Amino-5-Hydroxy-6-Methyloxan-2-Yl)Oxy-8,12-Dihydroxy-1-Methoxy-6,11-Dioxo-9,10-Dihydro-7H-Tetracen-5-Yl]Amino]But-2-Enoate
• Synonyms: Ethyl (E)-2-[[8-Acetyl-10-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-8,12-Dihydroxy-1-Methoxy-6,11-Dioxo-9,10-Dihydro-7H-Tetracen-5-Yl]Amino]But-2-Enoate; (E)-2-[[8-Acetyl-10-[(4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-8,12-Dihydroxy-1-Methoxy-6,11-Dioxo-9,10-Dihydro-7H-Tetracen-5-Yl]Amino]But-2-Enoic Acid Ethyl Ester; (E)-2-[[8-Acetyl-10-(4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-8,12-Dihydroxy-6,11-Diketo-1-Methoxy-9,10-Dihydro-7H-Tetracen-5-Yl]Amino]But-2-Enoic Acid Ethyl Ester
• Molecular Formula: C₃₃H₃₈N₂O₁₁
• Molecular Weight: 638.67
• CAS Registry Number: 123618-02-0
• SMILES: C1=CC=C(OC)C5=C1C(=C4C(=O)C3=C(C(OC2OC(C(O)C(N)C2)C)CC(O)(C3)C(=O)C)C(=O)C4=C5O)NC(=C/C)/C(OCC)=O
• InChI: 1S/C33H38N2O11/c1-6-19(32(41)44-7-2)35-27-16-9-8-10-20(43-5)23(16)30(39)26-25(27)29(38)17-12-33(42,15(4)36)13-21(24(17)31(26)40)46-22-11-18(34)28(37)14(3)45-22/h6,8-10,14,18,21-22,28,35,37,39,42H,7,11-13,34H2,1-5H3/b19-6+
• InChIKey: RQQUQVATMPPLFV-KPSZGOFPSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 899.319°C at 760 mmHg (Cal.)
• Flash point: 497.69°C (Cal.)