(4R,5S,6S,7R,9R,11E,15S,16R)-7-(2-Hydroxyethyl)-5,9,13,15-Tetramethyl-16-Ethyl-4-Hydroxy-6-[3-(Dimethylamino)-3,4,6-Trideoxy-beta-D-Xylo-Hexopyranosyloxy]-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione
[CAS# 58947-83-4]

Identification

• Name: (4R,5S,6S,7R,9R,11E,15S,16R)-7-(2-Hydroxyethyl)-5,9,13,15-Tetramethyl-16-Ethyl-4-Hydroxy-6-[3-(Dimethylamino)-3,4,6-Trideoxy-beta-D-Xylo-Hexopyranosyloxy]-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione
• Synonyms: (11E,13E)-6-(4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-16-Ethyl-4-Hydroxy-7-(2-Hydroxyethyl)-5,9,13,15-Tetramethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione; (11E,13E)-6-[(4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-16-Ethyl-4-Hydroxy-7-(2-Hydroxyethyl)-5,9,13,15-Tetramethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione; (11E,13E)-6-(4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-16-Ethyl-4-Hydroxy-7-(2-Hydroxyethyl)-5,9,13,15-Tetramethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Quinone
• Molecular Formula: C₃₁H₅₃NO₈
• Molecular Weight: 567.76
• CAS Registry Number: 58947-83-4
• SMILES: C(C2C(OC1C(C(N(C)C)CC(O1)C)O)C(C(CC(OC(C(\C=C(\C=C\C(C(C2)C)=O)C)C)CC)=O)O)C)CO
• InChI: 1S/C31H53NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,14,19-24,26-27,29-31,33,35,37H,9,12-13,15-17H2,1-8H3/b11-10+,18-14+
• InChIKey: KOARRXOZPWLCJM-NJESZQPCSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 729.228°C at 760 mmHg (Cal.)
• Flash point: 394.823°C (Cal.)