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-Oxooxan-2-Yl]Oxyoxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-2-Ethyl-2,5,7,12-Tetrahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS# 138636-10-9]

Identification

• Name: 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-Oxooxan-2-Yl]Oxyoxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-2-Ethyl-2,5,7,12-Tetrahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
• 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-Ethyl-2,5,7,12-Tetrahydroxy-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-Ethyl-2,5,7,12-Tetrahydroxy-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-Ethyl-2,5,7,12-Tetrahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₂H₅₃NO₁₆
• Molecular Weight: 827.88
• CAS Registry Number: 138636-10-9
• SMILES: [C@H]5(C1=C(O)C7=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)CC)O)C(=O)C6=C(O)C=CC=C6C7=O)C(OC)=O
• InChI: 1S/C42H53NO16/c1-8-42(52)16-25(30-31(34(42)41(51)53-7)38(50)32-33(37(30)49)36(48)29-20(35(32)47)10-9-11-23(29)45)57-27-14-21(43(5)6)39(18(3)55-27)59-28-15-24(46)40(19(4)56-28)58-26-13-12-22(44)17(2)54-26/h9-11,17-19,21,24-28,34,39-40,45-46,49-50,52H,8,12-16H2,1-7H3/t17-,18-,19-,21-,24-,25-,26-,27-,28-,34-,39+,40+,42+/m0/s1
• InChIKey: DGBFPZUOWZFVHF-SMUQNYKLSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 884.643°C at 760 mmHg (Cal.)
• Flash point: 488.814°C (Cal.)