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-2,5,7,10-Tetrahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS# 134910-04-6]

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-2,5,7,10-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-2,5,7,10-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-2,5,7,10-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-2,5,7,10-Tetrahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₂H₅₃NO₁₆
• Molecular Weight: 827.88
• CAS Registry Number: 134910-04-6
• SMILES: [C@H]4(C3=CC2=C(C(C1=C(C(=CC=C1O)O)C2=O)=O)C(=C3[C@H](C[C@]4(O)CC)O[C@H]5C[C@H](N(C)C)[C@@H]([C@@H](O5)C)O[C@@H]6O[C@@H](C)[C@H]([C@H](C6)O)O[C@@H]7O[C@@H](C)C(CC7)=O)O)C(=O)OC
• InChI: 1S/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17-,18-,19-,22-,26-,27-,28-,29-,30-,35-,39+,40+,42+/m0/s1
• InChIKey: STUJMJDONFVTGM-PSCMOPHJSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 921.65°C at 760 mmHg (Cal.)
• Flash point: 511.195°C (Cal.)