2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-4,10-Dihydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
[CAS# 39405-35-1]

Identification

• Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyloxan-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-4,10-Dihydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
• Synonyms: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dihydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,10-Dihydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dihydroxy-2-Keto-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
• Molecular Formula: C₃₅H₅₉NO₁₃
• Molecular Weight: 701.85
• CAS Registry Number: 39405-35-1
• SMILES: [C@H]3(N(C)C)[C@H](O[C@@H]1O[C@H]([C@H](O)[C@](O)(C1)C)C)[C@H](O[C@@H](O[C@@H]2[C@@H](OC)[C@H](O)CC(O[C@@H](C/C=C/C=C/[C@H](O)[C@@H](C[C@@H]2CC=O)C)C)=O)[C@@H]3O)C
• InChI: 1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3/b10-9+,13-11+/t19-,20-,21-,22+,23+,24+,25-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1
• InChIKey: XYJOGTQLTFNMQG-KJHBSLKPSA-N

Properties

• Boiling point: 851.679°C at 760 mmHg (Cal.)
• Flash point: 468.879°C (Cal.)