Ledermix
[CAS# 8059-68-5]

Identification

• Name: Ledermix
• Synonyms: (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxymethylene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; (8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-17-Glycoloyl-11,16,17-Trihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₄₂H₄₈ClFN₂O₁₄
• Molecular Weight: 859.30
• CAS Registry Number: 8059-68-5
• SMILES: [C@]14([C@H]([C@H]3[C@](F)([C@@H](O)C1)[C@@]2(C(=CC(=O)C=C2)CC3)C)C[C@@H](O)[C@]4(O)C(=O)CO)C.[C@H]78[C@](O)(C(=O)C6=C(O)C5=C(O)C=CC(=C5[C@@H](O)[C@H]6C7)Cl)C(=O)\C(C(=O)[C@H]8N(C)C)=C(/O)N
• InChI: 1S/C21H21ClN2O8.C21H27FO6/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h3-4,6-7,14-15,25-27,31-32H,5,23H2,1-2H3;5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/b20-13-;/t6-,7-,14-,15-,21-;13-,14-,15+,16-,18-,19-,20-,21-/m00/s1
• InChIKey: VCNOGAKMIKWYPT-YSTRFDBKSA-N

Properties

• Boiling point: 684.5°C at 760 mmHg (Cal.)
• Flash point: 367.8°C (Cal.)