Methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-2-Ethyl-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS 60504-57-6]

Identification

• Name: Methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-2-Ethyl-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
• Synonyms: Methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-2,5,7-Trihydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; (1R,2R,4S)-4-[[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-2,5,7-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-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-2,5,7-Trihydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₃₀H₃₅NO₁₀
• Molecular Weight: 569.61
• CAS Registry Number: 60504-57-6 (66676-88-8)
• SMILES: [C@H]3(C1=CC4=C(C(=C1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](N(C)C)C2)C)C[C@]3(O)CC)O)C(=O)C5=C(C4=O)C=CC=C5O)C(OC)=O
• InChI: 1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1
• InChIKey: LJZPVWKMAYDYAS-QKKPTTNWSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 716.744°C at 760 mmHg (Cal.)
• Flash point: 387.273°C (Cal.)