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-2,5,12-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS# 76463-92-8]

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-2,5,12-Trihydroxy-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-2,5,12-Trihydroxy-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-2,5,12-Trihydroxy-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-2,5,12-Trihydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₂H₅₃NO₁₅
• Molecular Weight: 811.88
• CAS Registry Number: 76463-92-8
• 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=CC=CC=C6C7=O)C(OC)=O
• InChI: 1S/C42H53NO15/c1-8-42(51)17-26(30-31(34(42)41(50)52-7)38(49)33-32(37(30)48)35(46)21-11-9-10-12-22(21)36(33)47)56-28-15-23(43(5)6)39(19(3)54-28)58-29-16-25(45)40(20(4)55-29)57-27-14-13-24(44)18(2)53-27/h9-12,18-20,23,25-29,34,39-40,45,48-49,51H,8,13-17H2,1-7H3/t18-,19-,20-,23-,25-,26-,27-,28-,29-,34-,39+,40+,42+/m0/s1
• InChIKey: KXRPCMRUNHOYFX-XPBCLHBESA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 866.518°C at 760 mmHg (Cal.)
• Flash point: 477.853°C (Cal.)