(3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-16-Ethyl-15-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyloxan-2-Yl]Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,11,13-Triene-2,10-Dione
[CAS# 73684-71-6]

Identification

• Name: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-16-Ethyl-15-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyloxan-2-Yl]Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,11,13-Triene-2,10-Dione
• Synonyms: (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-15-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,11,13-Triene-2,10-Dione; (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-16-Ethyl-15-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,11,13-Triene-2,10-Dione; (3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-15-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,11,13-Triene-2,10-Quinone
• Molecular Formula: C₃₇H₆₁NO₁₁
• Molecular Weight: 695.89
• CAS Registry Number: 73684-71-6
• SMILES: [C@@H]3(O[C@H]2[C@H](C[C@H](C(=O)/C=C/C=C/[C@H](CO[C@@H]1O[C@@H]([C@@H](O)[C@@H](OC)[C@H]1OC)C)[C@H](OC(=O)/C=C/[C@@H]2C)CC)C)C)O[C@@H](C[C@H](N(C)C)[C@H]3O)C
• InChI: 1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1
• InChIKey: DBTIHDIIXPQOFR-JMHKOBKLSA-N

Properties

• Boiling point: 801.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 438.4±34.3°C (Cal.)