[(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-Acetyl-4,4a,6,12a-Tetrahydroxy-9-Methoxy-11-Methyl-2,5,7,10-Tetraoxo-1,12-Dihydrotetracen-1-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] (Z,4R)-2,4-Dimethylhept-2-Enoate
[CAS# 146663-67-4]

Identification

• Name: [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4aS,12aR)-3-Acetyl-4,4a,6,12a-Tetrahydroxy-9-Methoxy-11-Methyl-2,5,7,10-Tetraoxo-1,12-Dihydrotetracen-1-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyloxan-3-Yl] (Z,4R)-2,4-Dimethylhept-2-Enoate
• Synonyms: [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4As,12Ar)-3-Acetyl-4,4A,6,12A-Tetrahydroxy-9-Methoxy-11-Methyl-2,5,7,10-Tetraoxo-1,12-Dihydrotetracen-1-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] (Z,4R)-2,4-Dimethylhept-2-Enoate; (Z,4R)-2,4-Dimethylhept-2-Enoic Acid [(2S,3R,4R,6S)-6-[[(2R,3S,6S)-6-[[(1S,4As,12Ar)-3-Acetyl-4,4A,6,12A-Tetrahydroxy-9-Methoxy-11-Methyl-2,5,7,10-Tetraoxo-1,12-Dihydrotetracen-1-Yl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; (Z,4R)-2,4-Dimethylhept-2-Enoic Acid [(2S,3R,4R,6S)-6-[(2R,3S,6S)-6-[[(1S,4As,12Ar)-3-Acetyl-4,4A,6,12A-Tetrahydroxy-2,5,7,10-Tetraketo-9-Methoxy-11-Methyl-1,12-Dihydrotetracen-1-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₄H₅₄O₁₇
• Molecular Weight: 854.90
• CAS Registry Number: 146663-67-4
• SMILES: [C@]24(O)[C@](O)(C(=O)C1=C(O)C3=C(C(=C1C2)C)C(=O)C(=CC3=O)OC)C(=C(C(=O)[C@H]4O[C@@H]6O[C@@H]([C@@H](O[C@@H]5O[C@H]([C@@H](OC(=O)C(=C\[C@@H](CCC)C)/C)[C@](O)(C5)C)C)CC6)C)C(=O)C)O
• InChI: 1S/C44H54O17/c1-10-11-18(2)14-19(3)41(52)61-39-23(7)58-29(17-42(39,8)53)59-26-12-13-28(57-22(26)6)60-40-36(49)31(21(5)45)37(50)44(55)38(51)32-24(16-43(40,44)54)20(4)30-33(35(32)48)25(46)15-27(56-9)34(30)47/h14-15,18,22-23,26,28-29,39-40,48,50,53-55H,10-13,16-17H2,1-9H3/b19-14-/t18-,22-,23+,26+,28+,29+,39-,40-,42-,43-,44-/m1/s1
• InChIKey: ZYPYHMZLLIDAAL-WNMWLNICSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 1022.105°C at 760 mmHg (Cal.)
• Flash point: 302.468°C (Cal.)