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Aclarubicina, TRC
Specifications
Specifications
| Nombre del producto químico o material | Aclarubicin |
| CAS | 57576-44-0 |
| Fórmula molecular | C42H53NO15 |
| Cantidad | 1 mg |
| Sinónimo | (1R,2R,4S)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-1-naphthacenecarboxylic Acid Methyl Ester, [1R-(1α,2β,4β)]-2-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-1-naphthacenecarboxylic Acid Methyl Ester, Aclacinomycin A, Aclacur, Antibiotic 3082A, Antibiotic 77-3082A, Antibiotic MA 144A1, Jaclacin, NSC 208734 |
| Fórmula InChI | InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1 |
| SMILES | OC1=C2C(C(C(C=C([C@@H](C(OC)=O)[C@@](O)(CC)C[C@@H]3O[C@@]4([H])C[C@H](N(C)C)[C@H](O[C@]5([H])O[C@@H](C)[C@@H](O[C@@]6([H])CCC([C@H](C)O6)=O)[C@@H](O)C5)[C@H](C)O4)C3=C7O)=C7C2=O)=O)=CC=C1 |
| Nombre IUPAC | (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimetilamino)-5-[(2S,4S,5S,6S)-4-hidroxi-6-metil-5-[(2R,6S)-6-metil-5-oxooxan-2-il]oxioxan-2-il]oxi-6-metiloxan-2-il]oxi-2-etil-2,5,7-trihidroxi-6,11-dioxo-3,4-dihidro-1H-tetraceno-1-carboxilato de metilo |
| Peso molecular (g/mol) | 811.87 |
Product Title
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