Emoxyl
[CAS# 84412-94-2]

Identification

• Name: Emoxyl
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-[N-[(1-Hydroxy-2,2,6,6-Tetramethyl-4-Piperidylidene)Amino]-C-Methyl-Carbonimidoyl]-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-[(1E)-1-[(1-Hydroxy-2,2,6,6-Tetramethyl-4-Piperidinylidene)Hydrazono]Ethyl]-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-[N-[(1-Hydroxy-2,2,6,6-Tetramethyl-4-Piperidylidene)Amino]-C-Methyl-Carbonimidoyl]-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₆H₄₆N₄O₁₀
• Molecular Weight: 694.78
• CAS Registry Number: 84412-94-2
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(O)C6=C(C(=C2C[C@](O)(C3)/C(=N/N=C4CC(N(O)C(C4)(C)C)(C)C)C)O)C(=O)C5=CC=CC(=C5C6=O)OC
• InChI: 1S/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/b38-17+/t16-,21-,23-,24-,29+,36-/m0/s1
• InChIKey: PTBPQBZWBIRISO-IAGVQPJWSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 857.988°C at 760 mmHg (Cal.)
• Flash point: 472.694°C (Cal.)