Tiacumicin B
[CAS# 56645-60-4]

Identification

• Name: Tiacumicin B
• Synonyms: [6-[[(3Z,5E,9E,13E,15E)-12-[3,4-Dihydroxy-6,6-Dimethyl-5-(2-Methylpropanoyloxy)Tetrahydropyran-2-Yl]Oxy-11-Ethyl-8-Hydroxy-18-(1-Hydroxyethyl)-9,13,15-Trimethyl-2-Oxo-1-Oxacyclooctadeca-3,5,9,13,15-Pentaen-3-Yl]Methoxy]-4-Hydroxy-5-Methoxy-2-Methyl-Tetrahydropyran-3-Yl] 3,5-Dichloro-2-Ethyl-4,6-Dihydroxy-Benzoate; 3,5-Dichloro-2-Ethyl-4,6-Dihydroxybenzoic Acid [6-[[(3Z,5E,9E,13E,15E)-12-[[3,4-Dihydroxy-6,6-Dimethyl-5-(2-Methyl-1-Oxopropoxy)-2-Tetrahydropyranyl]Oxy]-11-Ethyl-8-Hydroxy-18-(1-Hydroxyethyl)-9,13,15-Trimethyl-2-Oxo-1-Oxacyclooctadeca-3,5,9,13,15-Pentaen-3-Yl]Methoxy]-4-Hydroxy-5-Methoxy-2-Methyl-3-Tetrahydropyranyl] Ester; 3,5-Dichloro-2-Ethyl-4,6-Dihydroxy-Benzoic Acid [6-[[(3Z,5E,9E,13E,15E)-12-(3,4-Dihydroxy-5-Isobutyryloxy-6,6-Dimethyl-Tetrahydropyran-2-Yl)Oxy-11-Ethyl-8-Hydroxy-18-(1-Hydroxyethyl)-2-Keto-9,13,15-Trimethyl-1-Oxacyclooctadeca-3,5,9,13,15-Pentaen-3-Yl]Methoxy]-4-Hydroxy-5-Methoxy-2-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₅₂H₇₄Cl₂O₁₈
• Molecular Weight: 1058.05
• CAS Registry Number: 56645-60-4
• SMILES: C(C1=C(C(=C(Cl)C(=C1Cl)O)O)C(OC2C(O)C(OC)C(OC2C)OC\C4=C\C=C\CC(O)C(=C/C(C(OC3OC(C(OC(=O)C(C)C)C(O)C3O)(C)C)C(=C/C(=C/CC(OC4=O)C(O)C)C)/C)CC)/C)=O)C
• InChI: 1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17-
• InChIKey: ZVGNESXIJDCBKN-HSFUDZDJSA-N