(9R,10R)-7-[(2R,4S,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-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 76264-95-4]

Identification

• Name: (9R,10R)-7-[(2R,4S,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-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (9R,10R)-7-[(2R,4S,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-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9R,10R)-7-[[(2R,4S,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]-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9R,10R)-7-[(2R,4S,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-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₄₀H₅₁NO₁₅
• Molecular Weight: 785.84
• CAS Registry Number: 76264-95-4
• SMILES: [C@@H]7(O)C1=C(C(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)C(O[C@@H]6O[C@H](C(O[C@@H]5O[C@H]([C@@H](O[C@@H]4O[C@H](C(=O)CC4)C)[C@@H](O)C5)C)[C@@H](N(C)C)C6)C)C[C@]7(O)CC
• InChI: 1S/C40H51NO15/c1-7-40(50)15-24(29-32(39(40)49)36(48)30-31(35(29)47)34(46)28-19(33(30)45)9-8-10-22(28)43)54-26-13-20(41(5)6)37(17(3)52-26)56-27-14-23(44)38(18(4)53-27)55-25-12-11-21(42)16(2)51-25/h8-10,16-18,20,23-27,37-39,43-44,47-50H,7,11-15H2,1-6H3/t16-,17-,18-,20-,23-,24?,25-,26-,27-,37?,38+,39+,40+/m0/s1
• InChIKey: OIAHYVPTZYBBFB-JKOIIKDVSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 872.775°C at 760 mmHg (Cal.)
• Flash point: 481.637°C (Cal.)