Auramycin A
[CAS# 78173-92-9]

Identification

• Name: Auramycin A
• Synonyms: Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-6-Methyl-5-[(2R,6S)-6-Methyl-5-Oxo-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-2-Methyl-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; (1R,2R,4S)-4-[[(2R,4S,5S,6S)-4-Dimethylamino-5-[[(2S,4S,5S,6S)-4-Hydroxy-6-Methyl-5-[[(2R,6S)-6-Methyl-5-Oxo-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,5,7-Trihydroxy-2-Methyl-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2R,6S)-5-Keto-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,5,7-Trihydroxy-6,11-Diketo-2-Methyl-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₁H₅₁NO₁₅
• Molecular Weight: 797.85
• CAS Registry Number: 78173-92-9
• SMILES: [C@H]5(C1=CC7=C(C(=C1[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]2O[C@H](C(=O)CC2)C)[C@@H](O)C3)C)[C@@H](N(C)C)C4)C)C[C@]5(O)C)O)C(=O)C6=C(O)C=CC=C6C7=O)C(OC)=O
• InChI: 1S/C41H51NO15/c1-17-24(43)11-12-28(52-17)56-39-19(3)54-30(15-26(39)45)57-38-18(2)53-29(14-23(38)42(5)6)55-27-16-41(4,50)34(40(49)51-7)21-13-22-33(37(48)32(21)27)36(47)31-20(35(22)46)9-8-10-25(31)44/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,50H,11-12,14-16H2,1-7H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41+/m0/s1
• InChIKey: UFVSOHSXEJJBKL-UFJKXKKKSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 891.471°C at 760 mmHg (Cal.)
• Flash point: 492.944°C (Cal.)