Trisarubicinol
[CAS# 80470-08-2]

Identification

• Name: Trisarubicinol
• Synonyms: (9S)-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-4,6,9,11-Tetrahydroxy-9-(1-Hydroxyethyl)-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9S)-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]-4,6,9,11-Tetrahydroxy-9-(1-Hydroxyethyl)-8,10-Dihydro-7H-Tetracene-5,12-Dione; (9S)-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-4,6,9,11-Tetrahydroxy-9-(1-Hydroxyethyl)-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₄₀H₅₁NO₁₅
• Molecular Weight: 785.84
• CAS Registry Number: 80470-08-2
• SMILES: [C@@]5(O)(CC1=C(O)C7=C(C(=C1C(O[C@@H]4O[C@H](C(O[C@@H]3O[C@H]([C@@H](O[C@@H]2O[C@H](C(=O)CC2)C)[C@@H](O)C3)C)[C@@H](N(C)C)C4)C)C5)O)C(=O)C6=C(O)C=CC=C6C7=O)C(O)C
• InChI: 1S/C40H51NO15/c1-16-23(43)10-11-27(51-16)55-39-18(3)53-29(13-25(39)45)56-38-17(2)52-28(12-22(38)41(5)6)54-26-15-40(50,19(4)42)14-21-31(26)37(49)33-32(35(21)47)34(46)20-8-7-9-24(44)30(20)36(33)48/h7-9,16-19,22,25-29,38-39,42,44-45,47,49-50H,10-15H2,1-6H3/t16-,17-,18-,19?,22-,25-,26?,27-,28-,29-,38?,39+,40-/m0/s1
• InChIKey: RFRIIINGCQOYCL-QCPFSNFXSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 921.561°C at 760 mmHg (Cal.)
• Flash point: 511.142°C (Cal.)