(4aS)-12,13-Deepoxy-12,13-didehydro-10,11-dihydro-4a-hydroxy-Mycinamicin I
[CAS# 83883-27-6]

Identification

• Name: (4aS)-12,13-Deepoxy-12,13-didehydro-10,11-dihydro-4a-hydroxy-Mycinamicin I
• Synonyms: (3E,13Z)-6-(4-Dimethylamino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-16-Ethyl-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,13-Diene-2,10-Dione; (3E,13Z)-6-[(4-Dimethylamino-3,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-16-Ethyl-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-2-Tetrahydropyranyl)Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,13-Diene-2,10-Dione; (3E,13Z)-6-(4-Dimethylamino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-16-Ethyl-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxymethyl]-5,7,9-Trimethyl-1-Oxacyclohexadeca-3,13-Diene-2,10-Quinone
• Molecular Formula: C₃₇H₆₃NO₁₂
• Molecular Weight: 713.90
• CAS Registry Number: 83883-27-6
• SMILES: C(OC1OC(C(O)C(OC)C1OC)C)C\3C(OC(=O)/C=C/C(C(OC2OC(C(O)C(N(C)C)C2O)C)C(CC(C(=O)CC\C=C3)C)C)C)CC
• InChI: 1S/C37H63NO12/c1-11-27-25(19-46-37-35(45-10)34(44-9)31(42)24(6)48-37)14-12-13-15-26(39)21(3)18-22(4)33(20(2)16-17-28(40)49-27)50-36-32(43)29(38(7)8)30(41)23(5)47-36/h12,14,16-17,20-25,27,29-37,41-43H,11,13,15,18-19H2,1-10H3/b14-12-,17-16+
• InChIKey: GQKGOCDHEMZTKV-BJJUBUTDSA-N