Marcellomycin
[CAS# 63710-10-1]

Identification

• Name: Marcellomycin
• Synonyms: Methyl (1R,2R,4S)-4-[5-[5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-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-[[5-[[5-[(4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Dimethylamino-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-[5-[5-(4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-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: C₄₂H₅₅NO₁₇
• Molecular Weight: 845.89
• CAS Registry Number: 63710-10-1
• SMILES: [C@@H]6([C@](CC)(O)C[C@H](OC3OC(C)C(OC2OC(C(OC1OC(C)C(C(C1)O)O)C(O)C2)C)C(C3)N(C)C)C7=C(C5=C(C(=O)C4=C(C(=CC=C4O)O)C5=O)C=C67)O)C(=O)OC
• InChI: 1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16?,17?,18?,21?,24?,25?,26-,27?,28?,29?,34-,35?,39?,40?,42+/m0/s1
• InChIKey: VJRAUFKOOPNFIQ-XAYJNONASA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 947.105°C at 760 mmHg (Cal.)
• Flash point: 526.59°C (Cal.)