Endusamycin
[CAS# 100242-41-9]

Identification

• Name: Endusamycin
• Synonyms: (E,2S,4R,8S)-8-[(2S,3R,5S,7R,8R,9S)-9-Hydroxy-2-[(2R,4S,7R,10R)-2-[(2R,3R,5S,6S)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-[(2S,5S,6R)-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxo-Non-6-Enoic Acid; (E,2S,4R,8S)-8-[(2S,3R,5S,7R,8R,9S)-9-Hydroxy-2-[(2R,4S,7R,10R)-2-[(2R,3R,5S,6S)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-[[(2S,5S,6R)-5-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,4,6-Trimethyl-5-Oxonon-6-Enoic Acid; (E,2S,4R,8S)-8-[(2S,3R,5S,7R,8R,9S)-9-Hydroxy-2-[(2R,4S,7R,10R)-2-[(2R,3R,5S,6S)-6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-3-[(2S,5S,6R)-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-5-Keto-2,4,6-Trimethyl-Non-6-Enoic Acid
• Molecular Formula: C₄₇H₇₈O₁₄
• Molecular Weight: 867.12
• CAS Registry Number: 100242-41-9
• SMILES: [C@]2(O[C@]1(O[C@@H]([C@@H]([C@@H](O)C1)C)[C@H](\C=C(C(=O)[C@@H](C[C@@H](C(=O)O)C)C)/C)C)C[C@H]2O[C@@H]3O[C@@H]([C@@H](OC)CC3)C)([C@@H]6OC5(O[C@@H]([C@@H]4O[C@@](O)([C@H](C[C@H]4C)C)CO)C[C@@H]5C)[C@@H](CC6)C)C
• InChI: 1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42-,44-,45+,46-,47?/m1/s1
• InChIKey: IXZQKHXEQYZXTP-ZUGBIHIRSA-N