(9R,10R)-10-[(2S,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5S,6S)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 77517-27-2]

Identification

• Name: (9R,10R)-10-[(2S,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5S,6S)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (9R,10R)-10-[(2S,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5S,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9R,10R)-10-[[(2S,4S,5S,6S)-4-Dimethylamino-5-[[(2S,4S,5S,6S)-4-Hydroxy-5-[[(2S,5S,6S)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9R,10R)-10-[(2S,4S,5S,6S)-4-Dimethylamino-5-[(2S,4S,5S,6S)-4-Hydroxy-5-[(2S,5S,6S)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,11-Tetrahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₄₀H₅₃NO₁₄
• Molecular Weight: 771.86
• CAS Registry Number: 77517-27-2
• SMILES: [C@H]4(C3=C(C1=C(C(=O)C2=C(C1=O)C=CC=C2O)C(=C3CC[C@]4(O)CC)O)O)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@H](CC7)O
• InChI: 1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1
• InChIKey: MYQIMJTUIOIEOX-LVWNLLCFSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 895.11°C at 760 mmHg (Cal.)
• Flash point: 495.145°C (Cal.)