(8S,10S)-8-Acetyl-10-[[4-O-(3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)-3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl]Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
[CAS# 28008-54-0]

Identification

• Name: (8S,10S)-8-Acetyl-10-[[4-O-(3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl)-3-Amino-2,3,6-Trideoxy-alpha-L-Lyxo-Hexopyranosyl]Oxy]-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-1-Methoxy-5,12-Naphthacenedione
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-Amino-5-[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,4S,5S,6S)-4-Amino-5-[[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-Amino-5-[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₃H₄₀N₂O₁₂
• Molecular Weight: 656.69
• CAS Registry Number: 28008-54-0
• SMILES: [C@@H]4(O[C@@H]2O[C@H]([C@@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)[C@@H](N)C2)C)C3=C(O)C6=C(C(=C3C[C@](O)(C4)C(=O)C)O)C(=O)C5=CC=CC(=C5C6=O)OC
• InChI: 1S/C33H40N2O12/c1-12-27(37)17(34)8-22(44-12)47-32-13(2)45-21(9-18(32)35)46-20-11-33(42,14(3)36)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,37,39,41-42H,8-11,34-35H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1
• InChIKey: HCMSUFXIFYKIOL-RPYJURNCSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 857.404°C at 760 mmHg (Cal.)
• Flash point: 472.341°C (Cal.)