(1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-Ethyl-2-[(2S,3R,4S,6R)-4-(Ethyl-Methylamino)-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-9,10-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyloxan-2-Yl]Oxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-En-6-One
[CAS# 110205-60-2]

Identification

• Name: (1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-Ethyl-2-[(2S,3R,4S,6R)-4-(Ethyl-Methylamino)-3-Hydroxy-6-Methyloxan-2-Yl]Oxy-9,10-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyloxan-2-Yl]Oxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-En-6-One
• Synonyms: (1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-Ethyl-2-[(2S,3R,4S,6R)-4-(Ethyl-Methyl-Amino)-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9,10-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-En-6-One; (1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-Ethyl-2-[[(2S,3R,4S,6R)-4-(Ethyl-Methylamino)-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9,10-Dihydroxy-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-En-6-One; (1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-Ethyl-2-[(2S,3R,4S,6R)-4-(Ethyl-Methyl-Amino)-3-Hydroxy-6-Methyl-Oxan-2-Yl]Oxy-9,10-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Oxan-2-Yl]Oxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-En-6-One
• Molecular Formula: C₃₈H₆₇NO₁₂
• Molecular Weight: 729.95
• CAS Registry Number: 110205-60-2
• SMILES: [C@H]4(O[C@@H]1O[C@@H](C[C@H](N(CC)C)[C@H]1O)C)[C@]2(OC(=C(C2)C)[C@@H]([C@@H](O)[C@](O)([C@H](OC(=O)[C@@H]([C@@H](O[C@@H]3O[C@H]([C@H](O)[C@](OC)(C3)C)C)[C@@H]4C)C)CC)C)C)C
• InChI: 1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37+,38-/m1/s1
• InChIKey: UTTLXGDLSXWDJI-OTELOYJSSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 799.522°C at 760 mmHg (Cal.)
• Flash point: 437.335°C (Cal.)