(1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranos yl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
[CAS# 86944-87-8]

Identification

• Name: (1R,2R,4S)-2-Ethyl-2,4,7,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranos yl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
• Synonyms: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,4,6,7,8,10-pentahydroxy-7-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl)oxy)-, (7R-(7-α,8-β,10-β))-; 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,8,10-pentahydroxy-7-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl)oxy)-, (7R-(7α,8β,10β))-; α(sub 2)-Rhodomycinone RDC
• Molecular Formula: C₄₀H₅₁NO₁₅
• Molecular Weight: 785.83
• CAS Registry Number: 86944-87-8
• SMILES: O=C2c1cc7c(c(O)c1C(=O)c3c2c(O)ccc3O)[C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]4O[C@H](C(=O)CC4)C)[C@@H](O)C5)C)[C@@H](N(C)C)C6)C)[C@@](O)(CC)C[C@@H]7O
• InChI: 1S/C40H51NO15/c1-7-40(50)15-26(46)19-12-20-30(36(49)33-24(44)9-8-23(43)32(33)34(20)47)35(48)31(19)39(40)56-28-13-21(41(5)6)37(17(3)52-28)55-29-14-25(45)38(18(4)53-29)54-27-11-10-22(42)16(2)51-27/h8-9,12,16-18,21,25-29,37-39,43-46,48,50H,7,10-11,13-15H2,1-6H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,37+,38+,39+,40+/m0/s1
• InChIKey: LNGMTVYKVHWMNN-RUBOWPBISA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 927.048°C at 760 mmHg (Cal.)
• Flash point: 514.46°C (Cal.)