Antibiotic K 41, Monosodium Salt
[CAS# 69307-91-1]

Identification

• Name: Antibiotic K 41, Monosodium Salt
• Synonyms: Sodium (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,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]Acetate; Sodium (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,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]Acetate; Sodium (2R)-2-Hydroxy-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,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]Ethanoate
• Molecular Formula: C₄₈H₈₁NaO₁₈
• Molecular Weight: 969.15
• CAS Registry Number: 69307-91-1
• SMILES: [C@]3(OC2(O[C@H](C[C@@H]1O[C@@](O)([C@H]([C@H](OC)[C@]1(OC)C)C)[C@@H](O)C([O-])=O)C[C@@H](OC)[C@H]2C)[C@@H]([C@H]3OC)C)([C@@H]7O[C@H]([C@@H]6O[C@@H]([C@H]5O[C@](O)([C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](OC)CC4)C)[C@@H]5C)C)C)CC6)CC7)C.[Na+]
• InChI: 1S/C48H82O18.Na/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);/q;+1/p-1/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: OBROZTNUCRYRNA-KCEQURFISA-M

Properties

• Boiling point: 913.8°C at 760 mmHg (Cal.)
• Flash point: 252.7°C (Cal.)