(7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-9-Ethyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 79466-09-4]

Identification

• Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-9-Ethyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-Ethyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₃₁NO₉
• Molecular Weight: 513.54
• CAS Registry Number: 79466-09-4
• SMILES: [C@@H]5(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)C[C@](O)(C5)CC
• InChI: 1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1
• InChIKey: XAMIMZAWZUSOPA-JIGXQNLBSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 733.168°C at 760 mmHg (Cal.)
• Flash point: 397.206°C (Cal.)