(7S,9S)-7-[(2R,4S,5S,6S)-4-(2,3-Dihydropyrrol-1-Yl)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS 175795-76-3]

Identification

• Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-(2,3-Dihydropyrrol-1-Yl)-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-(2,3-Dihydropyrrol-1-Yl)-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-4-(2,3-Dihydropyrrol-1-Yl)-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Glycoloyl-6,9,11-Trihydroxy-7-[(2R,4S,5S,6S)-5-Hydroxy-6-Methyl-4-(2-Pyrrolin-1-Yl)Tetrahydropyran-2-Yl]Oxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₃₁H₃₃NO₁₁
• Molecular Weight: 595.60
• CAS Registry Number: 175795-76-3
• SMILES: [C@@H]4(O[C@@H]2O[C@H]([C@@H](O)[C@@H](N1C=CCC1)C2)C)C3=C(O)C5=C(C(=C3C[C@](O)(C4)C(=O)CO)O)C(=O)C6=C(C5=O)C(=CC=C6)OC
• InChI: 1S/C31H33NO11/c1-14-26(35)17(32-8-3-4-9-32)10-21(42-14)43-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-6-5-7-18(41-2)22(15)29(25)38/h3,5-8,14,17,19,21,26,33,35,37,39-40H,4,9-13H2,1-2H3/t14-,17-,19-,21-,26+,31-/m0/s1
• InChIKey: NOPNWHSMQOXAEI-PUCKCBAPSA-N

Properties

• Density: 1.575g/cm³ (Cal.)
• Boiling point: 848.85°C at 760 mmHg (Cal.)
• Flash point: 467.168°C (Cal.)