(7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 103946-11-8]

Identification

• Name: (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-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,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-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,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₇FO₁₁
• Molecular Weight: 546.50
• CAS Registry Number: 103946-11-8
• SMILES: [C@@H]5(O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1F)C)C2=C(C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)C[C@](O)(C5)C(=O)C
• InChI: 1S/C27H27FO11/c1-9-20(30)25(35)19(28)26(38-9)39-14-8-27(36,10(2)29)7-12-16(14)24(34)18-17(22(12)32)21(31)11-5-4-6-13(37-3)15(11)23(18)33/h4-6,9,14,19-20,25-26,30,32,34-36H,7-8H2,1-3H3/t9-,14-,19+,20+,25-,26-,27-/m0/s1
• InChIKey: VWFDCDVWUZZPGT-GHLRWAQXSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 779.21°C at 760 mmHg (Cal.)
• Flash point: 425.051°C (Cal.)