Esperamicin D
[CAS# 107473-04-1]

Identification

• Name: Esperamicin D
• Synonyms: Methyl N-[(5Z,13Z)-9,10-Dihydroxy-2-[4-Hydroxy-5-(Hydroxyamino)-3-[5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-13-(2-Methylsulfanyldisulfanylethylidene)-11-Oxo-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamate; N-[(5Z,13Z)-9,10-Dihydroxy-2-[[4-Hydroxy-5-(Hydroxyamino)-3-[[5-(Isopropylamino)-4-Methoxy-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-13-[2-(Methylthio)Disulfanylethylidene]-11-Oxo-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamic Acid Methyl Ester; N-[(5Z,13Z)-9,10-Dihydroxy-2-[4-Hydroxy-5-(Hydroxyamino)-3-[5-(Isopropylamino)-4-Methoxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-11-Keto-13-[2-(Methylthio)Disulfanylethylidene]-12-Bicyclo[7.3.1]Trideca-1(12),5-Dien-3,7-Diynyl]Carbamic Acid Methyl Ester
• Molecular Formula: C₃₃H₄₅N₃O₁₂S₃
• Molecular Weight: 771.91
• CAS Registry Number: 107473-04-1
• SMILES: C3#C\C=C/C#CC(OC1OC(C(NO)C(O)C1OC2OCC(NC(C)C)C(OC)C2)C)C4=C(NC(OC)=O)C(=O)C(O)C3(O)\C4=C/CSSSC
• InChI: 1S/C33H45N3O12S3/c1-17(2)34-20-16-45-23(15-22(20)43-4)48-29-27(37)25(36-42)18(3)46-31(29)47-21-11-9-7-8-10-13-33(41)19(12-14-50-51-49-6)24(21)26(28(38)30(33)39)35-32(40)44-5/h7-8,12,17-18,20-23,25,27,29-31,34,36-37,39,41-42H,14-16H2,1-6H3,(H,35,40)/b8-7-,19-12-
• InChIKey: KREMLOHCULNNLF-WRGVHVQVSA-N