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Aclarubicin An anthracycline produced by Streptomyces galilaeus. It has potent antineoplastic activity.
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pre_formula( "InChI=1/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/t18u,19u,20u,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1", "jqp016/308141.html" ); ?>
Molecular Formula:
C42H53NO15
InChI: InChI=1/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/t18u,19u,20u,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1
InChIKey: InChIKey=USZYSDMBJDPRIF-UZLUCDGHBC
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
Names:
Aclacinomycin
Aclacinomycin A
aclarubicin
Aclucinomycin A
Antibiotic MA144-A1
MA 144-A1
methyl (1R,2R,4S)-4-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan-2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
NSC 208734
NSC208734
1-Naphthacenecarboxylic acid, 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) -.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-he xopyranosyl]oxy]-, methyl ester,(1R-(1.alpha.,2.beta.,4.beta.))-
57576-44-0
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Registries:
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PubChem CID 308141
PubChem ID 125750
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