(2S,4S,5R)-20-De(1-hydroxypropyl)-6-demethyl-2,6-diethyl-5-hydroxy-20-(1-hydroxybutyl)lysocellin
[CAS# 129905-10-8]

Identification

• Name: (2S,4S,5R)-20-De(1-hydroxypropyl)-6-demethyl-2,6-diethyl-5-hydroxy-20-(1-hydroxybutyl)lysocellin
• Synonyms: (2S)-2-[(2R,3S,4R,5R,6R)-5-Ethyl-6-[(1R,2R,3S,5R)-5-[(2R,3R,5S)-5-[(2R,3R,5S)-5-Ethyl-2-Hydroxy-5-[(1S)-1-Hydroxybutyl]-3-Methyl-Tetrahydrofuran-2-Yl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-2-Hydroxy-1,3-Dimethyl-4-Oxo-Heptyl]-2,4-Dihydroxy-3-Methyl-Tetrahydropyran-2-Yl]Butanoic Acid; (2S)-2-[(2R,3S,4R,5R,6R)-5-Ethyl-6-[(1R,2R,3S,5R)-5-[(2R,3R,5S)-5-[(2R,3R,5S)-5-Ethyl-2-Hydroxy-5-[(1S)-1-Hydroxybutyl]-3-Methyl-2-Tetrahydrofuranyl]-3,5-Dimethyl-2-Tetrahydrofuranyl]-2-Hydroxy-1,3-Dimethyl-4-Oxoheptyl]-2,4-Dihydroxy-3-Methyl-2-Tetrahydropyranyl]Butanoic Acid; (2S)-2-[(2R,3S,4R,5R,6R)-5-Ethyl-6-[(1R,2R,3S,5R)-5-[(2R,3R,5S)-5-[(2R,3R,5S)-5-Ethyl-2-Hydroxy-5-[(1S)-1-Hydroxybutyl]-3-Methyl-Tetrahydrofuran-2-Yl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-2-Hydroxy-4-Keto-1,3-Dimethyl-Heptyl]-2,4-Dihydroxy-3-Methyl-Tetrahydropyran-2-Yl]Butyric Acid
• Molecular Formula: C₃₈H₆₈O₁₁
• Molecular Weight: 700.95
• CAS Registry Number: 129905-10-8
• SMILES: [C@@]1(O[C@@H]([C@@H]([C@H]([C@@H]1C)O)CC)[C@@H]([C@H]([C@@H](C([C@@H]([C@@H]3O[C@]([C@@]2(O[C@@](C[C@H]2C)([C@@H](O)CCC)CC)O)(C[C@H]3C)C)CC)=O)C)O)C)([C@@H](C(=O)O)CC)O
• InChI: 1S/C38H68O11/c1-12-17-28(39)36(16-5)19-21(7)38(46,49-36)35(11)18-20(6)32(47-35)25(13-2)30(41)22(8)29(40)23(9)33-26(14-3)31(42)24(10)37(45,48-33)27(15-4)34(43)44/h20-29,31-33,39-40,42,45-46H,12-19H2,1-11H3,(H,43,44)/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,31+,32-,33-,35+,36+,37-,38-/m1/s1
• InChIKey: NZJHONRWXITMMC-SHVTYPMQSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 812.749°C at 760 mmHg (Cal.)
• Flash point: 238.576°C (Cal.)