Kijimicin
[CAS# 129297-22-9]

Identification

• Name: Kijimicin
• Synonyms: (2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-Hydroxy-5-[(1R)-1-Hydroxypropyl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-9-Methoxy-8,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-Methoxy-2-Methyl-Pentanoic Acid; (2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-Hydroxy-5-[(1R)-1-Hydroxypropyl]-3,5-Dimethyl-2-Tetrahydrofuranyl]-3-Methyl-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-9-Methoxy-8,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-Methoxy-2-Methylpentanoic Acid; (2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-Hydroxy-5-[(1R)-1-Hydroxypropyl]-3,5-Dimethyl-Tetrahydrofuran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-9-Methoxy-8,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-Methoxy-2-Methyl-Valeric Acid
• Molecular Formula: C₃₇H₆₄O₁₁
• Molecular Weight: 684.91
• CAS Registry Number: 129297-22-9
• SMILES: [C@H]2(O[C@@H]([C@]1(O[C@@](C[C@@H]1C)([C@H](O)CC)C)O)C[C@@H]2C)[C@]5(O[C@@H]([C@H]4O[C@]3(O[C@@H]([C@@H]([C@@H](OC)[C@H]3C)C)[C@H]([C@@H](OC)[C@@H](C(=O)O)C)C)CC4)CC5)C
• InChI: 1S/C37H64O11/c1-12-27(38)35(9)18-20(3)37(41,48-35)28-17-19(2)32(44-28)34(8)15-13-25(45-34)26-14-16-36(46-26)24(7)31(43-11)22(5)30(47-36)21(4)29(42-10)23(6)33(39)40/h19-32,38,41H,12-18H2,1-11H3,(H,39,40)/t19-,20-,21-,22-,23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,34-,35-,36-,37-/m0/s1
• InChIKey: DQQFPJYHEYSNAS-GDDNSUCPSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 740.206°C at 760 mmHg (Cal.)
• Flash point: 217.466°C (Cal.)