(7S,9S)-9-Acetyl-7-[(2S,3R,4S,5R)-4-Amino-3-Hydroxy-5-Methyloxolan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride
[CAS 79867-86-0]

Identification

• Name: (7S,9S)-9-Acetyl-7-[(2S,3R,4S,5R)-4-Amino-3-Hydroxy-5-Methyloxolan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride
• Synonyms: (7S,9S)-9-Acetyl-7-[(2S,3R,4S,5R)-4-Amino-3-Hydroxy-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[[(2S,3R,4S,5R)-4-Amino-3-Hydroxy-5-Methyl-2-Tetrahydrofuranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[(2S,3R,4S,5R)-4-Amino-3-Hydroxy-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₆H₂₈ClNO₁₀
• Molecular Weight: 549.96
• CAS Registry Number: 79867-86-0
• SMILES: [C@H]2(O[C@H]1O[C@@H]([C@@H](N)[C@H]1O)C)C[C@@](O)(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C26H27NO10.ClH/c1-9-19(27)24(33)25(36-9)37-14-8-26(34,10(2)28)7-12-16(14)23(32)18-17(21(12)30)20(29)11-5-4-6-13(35-3)15(11)22(18)31;/h4-6,9,14,19,24-25,30,32-34H,7-8,27H2,1-3H3;1H/t9-,14+,19-,24-,25-,26+;/m1./s1
• InChIKey: GRXYHNFFJITBLV-AMJZNUMFSA-N

Properties

• Boiling point: 770.2°C at 760 mmHg (Cal.)
• Flash point: 419.6°C (Cal.)