(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5R,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-14-Ethyl-7,12-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione
[CAS# 33442-56-7]

Identification

• Name: (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5R,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-14-Ethyl-7,12-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione
• Synonyms: (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5R,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-7,12-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-[[(2R,4R,5R,6S)-4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Ethyl-7,12-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-[(2R,4R,5R,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-7,12-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone
• Molecular Formula: C₃₆H₆₅NO₁₂
• Molecular Weight: 703.91
• CAS Registry Number: 33442-56-7
• SMILES: [C@@H]3(O[C@@H]2[C@H]([C@H](O[C@@H]1O[C@H]([C@@H](O)[C@](O)(C1)C)C)[C@H](C(O[C@@H]([C@@H]([C@H](O)[C@H](C(=O)[C@@H](C[C@]2(O)C)C)C)C)CC)=O)C)C)O[C@@H](C[C@H](N(C)C)[C@H]3O)C
• InChI: 1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31-,32-,34+,35-,36-/m1/s1
• InChIKey: CLQUUOKNEOQBSW-HYABICGWSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 815.246°C at 760 mmHg (Cal.)
• Flash point: 446.845°C (Cal.)