(7S,9S)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 103930-51-4]

Identification

• Name: (7S,9S)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-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,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-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,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-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)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₇FO₁₂
• Molecular Weight: 562.50
• CAS Registry Number: 103930-51-4
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1F)C)C2=C(O)C4=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C27H27FO12/c1-9-20(31)25(36)19(28)26(39-9)40-13-7-27(37,14(30)8-29)6-11-16(13)24(35)18-17(22(11)33)21(32)10-4-3-5-12(38-2)15(10)23(18)34/h3-5,9,13,19-20,25-26,29,31,33,35-37H,6-8H2,1-2H3/t9-,13-,19+,20+,25-,26-,27-/m0/s1
• InChIKey: KXGVIPZFMKMPFU-OATXVPTESA-N

Properties

• Density: 1.675g/cm³ (Cal.)
• Boiling point: 820.038°C at 760 mmHg (Cal.)
• Flash point: 449.743°C (Cal.)