(12S,13S)-9-Deoxy-12,13-Epoxy-12,13-Dihydro-9-Oxoleucomycin V 3-Acetate 4''-Butanoate
[CAS# 58880-24-3]

Identification

• Name: (12S,13S)-9-Deoxy-12,13-Epoxy-12,13-Dihydro-9-Oxoleucomycin V 3-Acetate 4''-Butanoate
• Synonyms: [6-[6-[[(14E)-7-Acetoxy-8-Methoxy-3,12-Dimethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Butanoate; Butanoic Acid [6-[[6-[[(14E)-7-Acetoxy-8-Methoxy-3,12-Dimethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; Butyric Acid [6-[6-[[(14E)-7-Acetoxy-5,13-Diketo-10-(2-Ketoethyl)-8-Methoxy-3,12-Dimethyl-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-4-Dimethylamino-5-Hydroxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₄₁H₆₅NO₁₆
• Molecular Weight: 827.96
• CAS Registry Number: 58880-24-3
• SMILES: C(C4C(OC2OC(C(OC1OC(C(OC(=O)CCC)C(O)(C1)C)C)C(N(C)C)C2O)C)C(OC)C(OC(=O)C)CC(OC(CC3OC3\C=C\C(=O)C(C4)C)C)=O)C=O
• InChI: 1S/C41H65NO16/c1-11-12-31(46)56-39-24(5)52-33(20-41(39,7)49)57-36-23(4)53-40(35(48)34(36)42(8)9)58-37-26(15-16-43)17-21(2)27(45)13-14-28-29(55-28)18-22(3)51-32(47)19-30(38(37)50-10)54-25(6)44/h13-14,16,21-24,26,28-30,33-40,48-49H,11-12,15,17-20H2,1-10H3/b14-13+
• InChIKey: UHJLHWLKXDXMHZ-BUHFOSPRSA-N