(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-2-Hydroxy-5-Methyl-6-[(1E,3E)-Penta-1,3-Dienyl]Oxan-2-Yl]-3-Hydroxypentan-2-Yl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One
[CAS# 108375-77-5]

Identification

• Name: (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-2-Hydroxy-5-Methyl-6-[(1E,3E)-Penta-1,3-Dienyl]Oxan-2-Yl]-3-Hydroxypentan-2-Yl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One
• Synonyms: (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(2R,3S)-3-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-5-Methyl-6-[(1E,3E)-Penta-1,3-Dienyl]Tetrahydropyran-2-Yl]-2-Hydroxy-1-Methyl-Butyl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One; (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(2R,3S)-3-[(2R,4R,5S,6R)-4-[[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Hydroxy-5-Methyl-6-[(1E,3E)-Penta-1,3-Dienyl]-2-Tetrahydropyranyl]-2-Hydroxy-1-Methylbutyl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One; (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2-Hydroxy-5-Methyl-6-[(1E,3E)-Penta-1,3-Dienyl]Oxan-2-Yl]-3-Hydroxy-Pentan-2-Yl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One
• Molecular Formula: C₄₃H₆₈O₁₂
• Molecular Weight: 777.00
• CAS Registry Number: 108375-77-5
• SMILES: [C@]2(O[C@@H]([C@H]([C@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)C1)C)C2)C)\C=C\C=C\C)(O)[C@H]([C@H](O)C([C@H]3OC(=O)C(=C\C(=C/[C@H]([C@@H](O)[C@H](CC(=C\C=C/[C@@H]3OC)/C)C)C)C)/OC)C)C
• InChI: 1S/C43H68O12/c1-12-13-14-17-33-28(6)36(53-37-22-32(44)40(47)31(9)52-37)23-43(49,55-33)30(8)39(46)29(7)41-34(50-10)18-15-16-24(2)19-26(4)38(45)27(5)20-25(3)21-35(51-11)42(48)54-41/h12-18,20-21,26-34,36-41,44-47,49H,19,22-23H2,1-11H3/b13-12+,17-14+,18-15-,24-16-,25-20-,35-21+/t26-,27+,28+,29?,30-,31+,32+,33+,34-,36+,37+,38-,39+,40+,41+,43+/m0/s1
• InChIKey: GBRLJEHLCUILHG-KIRYWGJYSA-N