(7S-cis)-9-Acetyl-7-((3-Amino-2,3,6-Trideoxy-beta-L-Lyxo-Hexopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,9,11-Trihydroxy-5,12-Naphthacenedione
[CAS# 58957-93-0]

Identification

• Name: (7S-cis)-9-Acetyl-7-((3-Amino-2,3,6-Trideoxy-beta-L-Lyxo-Hexopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,9,11-Trihydroxy-5,12-Naphthacenedione
• Synonyms: (7R,9R)-9-Acetyl-7-[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7R,9R)-9-Acetyl-7-[[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7R,9R)-9-Acetyl-7-[(2S,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₆H₂₇NO₉
• Molecular Weight: 497.50
• CAS Registry Number: 58957-93-0 (58976-06-0)
• SMILES: [C@H]3(O[C@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(O)C5=C(C(=C2C[C@@](O)(C3)C(=O)C)O)C(=O)C4=CC=CC=C4C5=O
• InChI: 1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16+,17+,21+,26+/m0/s1
• InChIKey: XDXDZDZNSLXDNA-NGEJXCPLSA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 725.435°C at 760 mmHg (Cal.)
• Flash point: 392.529°C (Cal.)