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114390-31-7 aconityldoxorubicin

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Product Name aconityldoxorubicin
CAS No. 114390-31-7
Synonyms Aconityldoxorubicin; CA-Dxr; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((3,4-dicarboxy-1-oxo-2-butenyl)amino)-alpha-L-lyso-hexopyraosyl)oxy)-, (8S-(8alpha,10alpha(Z)))-; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-{[(2Z)-3,4-dicarboxybut-2-enoyl]amino}-alpha-L-lyxo-hexopyranoside
InChI InChI=1/C33H33NO16/c1-12-27(40)16(34-20(37)6-13(32(45)46)7-21(38)39)8-22(49-12)50-18-10-33(47,19(36)11-35)9-15-24(18)31(44)26-25(29(15)42)28(41)14-4-3-5-17(48-2)23(14)30(26)43/h3-6,12,16,18,22,27,35,40,42,44,47H,7-11H2,1-2H3,(H,34,37)(H,38,39)(H,45,46)/b13-6-/t12-,16-,18-,22-,27+,33-/m0/s1
Molecular Formula C33H33NO16
Molecular Weight 699.6122
Density 1.68g/cm3
Boiling point 1062.7°C at 760 mmHg
Flash point 596.5°C
Refractive index 1.712