Antibiotic K 41
[CAS# 53026-37-2]

Identification

• Name: Antibiotic K 41
• Synonyms: (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,5S,7S,9R,10R)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-Hydroxy-4-[(2R,5S,6R)-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,5,6-Trimethyl-Tetrahydropyran-2-Yl]Tetrahydrofuran-2-Yl]Tetrahydrofuran-2-Yl]-3,9-Dimethoxy-2,4,10-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Methyl]-4,5-Dimethoxy-3,5-Dimethyl-Tetrahydropyran-2-Yl]Acetic Acid; (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,5S,7S,9R,10R)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-Hydroxy-4-[[(2R,5S,6R)-5-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3,5,6-Trimethyl-2-Tetrahydropyranyl]-2-Tetrahydrofuranyl]-2-Tetrahydrofuranyl]-3,9-Dimethoxy-2,4,10-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Methyl]-4,5-Dimethoxy-3,5-Dimethyl-2-Tetrahydropyranyl]Acetic Acid; (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,5S,7S,9R,10R)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-Hydroxy-4-[(2R,5S,6R)-5-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-3,5,6-Trimethyl-Oxan-2-Yl]Oxolan-2-Yl]Oxolan-2-Yl]-3,9-Dimethoxy-2,4,10-Trimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]Methyl]-4,5-Dimethoxy-3,5-Dimethyl-Oxan-2-Yl]Ethanoic Acid
• Molecular Formula: C₄₈H₈₂O₁₈
• Molecular Weight: 947.17
• CAS Registry Number: 53026-37-2
• SMILES: [C@@]56(O[C@@]([C@@H]4O[C@H]([C@@H]3O[C@@H]([C@H]1O[C@@]([C@H](C)[C@H]([C@@H]1C)O[C@@H]2O[C@H](C)[C@H](CC2)OC)(O)C)CC3)CC4)(C)[C@@H]([C@H]5C)OC)[C@@H]([C@H](OC)C[C@H](O6)C[C@@H]7O[C@@]([C@@H](C)[C@@H]([C@]7(OC)C)OC)([C@H](C(=O)O)O)O)C
• InChI: 1S/C48H82O18/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51)/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48-/m0/s1
• InChIKey: QFHLVPYVNFSTBE-SMAIMEEGSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 913.758°C at 760 mmHg (Cal.)
• Flash point: 252.701°C (Cal.)