4-epi-Anhydrotetracycline
[CAS# 7518-17-4]

Identification

• Name: 4-epi-Anhydrotetracycline
• Synonyms: (2Z,4R,4As,12As)-2-(Amino-Hydroxymethylidene)-4-Dimethylamino-10,11,12A-Trihydroxy-6-Methyl-4A,5-Dihydro-4H-Tetracene-1,3,12-Trione; (4R,4As,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-10,11,12A-Trihydroxy-6-Methyl-4A,5-Dihydro-4H-Tetracene-1,3,12-Trione; (2Z,4R,4As,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-10,11,12A-Trihydroxy-6-Methyl-4A,5-Dihydro-4H-Tetracene-1,3,12-Trione
• Molecular Formula: C₂₂H₂₂N₂O₇
• Molecular Weight: 426.43
• CAS Registry Number: 7518-17-4
• SMILES: [C@H]14[C@](O)(C(=O)C2=C(C1)C(=C3C(=C2O)C(=CC=C3)O)C)C(=O)\C(C(=O)[C@@H]4N(C)C)=C(/O)N
• InChI: 1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-26,30-31H,7,23H2,1-3H3/b21-15-/t11-,16+,22-/m0/s1
• InChIKey: JGRMIMMCZBOWCW-OZUNWNPSSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 618.631°C at 760 mmHg (Cal.)
• Flash point: 327.937°C (Cal.)