4'-Deoxycirramycin A1 2'-Propionate
[CAS# 51481-64-2]

Identification

• Name: 4'-Deoxycirramycin A1 2'-Propionate
• Synonyms: [(2R,3S,4R,6S)-4-Dimethylamino-2-[[(1R,2R,3S,7R,8S,9S,10R,12R,14E,16S)-3-Ethyl-7-Hydroxy-2,8,12,16-Tetramethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Propanoate; Propanoic Acid [(2R,3S,4R,6S)-4-Dimethylamino-2-[[(1R,2R,3S,7R,8S,9S,10R,12R,14E,16S)-3-Ethyl-7-Hydroxy-2,8,12,16-Tetramethyl-5,13-Dioxo-10-(2-Oxoethyl)-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-6-Methyl-3-Tetrahydropyranyl] Ester; Propionic Acid [(2R,3S,4R,6S)-4-Dimethylamino-2-[[(1R,2R,3S,7R,8S,9S,10R,12R,14E,16S)-3-Ethyl-7-Hydroxy-5,13-Diketo-10-(2-Ketoethyl)-2,8,12,16-Tetramethyl-4,17-Dioxabicyclo[14.1.0]Heptadec-14-En-9-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₄H₅₅NO₁₀
• Molecular Weight: 637.81
• CAS Registry Number: 51481-64-2
• SMILES: [C@H]23[C@@](\C=C\C([C@@H](C[C@@H]([C@H](O[C@@H]1[C@H]([C@@H](C[C@@H](O1)C)N(C)C)OC(CC)=O)[C@H]([C@@H](CC(O[C@H]([C@H]2C)CC)=O)O)C)CC=O)C)=O)(C)O3
• InChI: 1S/C34H55NO10/c1-10-27-22(6)32-34(7,45-32)14-12-25(37)19(3)16-23(13-15-36)30(21(5)26(38)18-29(40)42-27)44-33-31(43-28(39)11-2)24(35(8)9)17-20(4)41-33/h12,14-15,19-24,26-27,30-33,38H,10-11,13,16-18H2,1-9H3/b14-12+/t19-,20+,21+,22-,23+,24-,26-,27+,30-,31+,32-,33-,34+/m1/s1
• InChIKey: JTJAMAJKINOBDT-QCOKHWQXSA-N