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117704-65-1 pradimicin a

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Product Name Pradimicin A
CAS No. 117704-65-1
Synonyms BRN 4645458; PRD-A; D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenz(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-; D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-; (2R)-2-({[(5S,6R)-1,6,9,14-tetrahydroxy-5-{[(2R,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid (non-preferred name)
InChI InChI=1/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13+,20+,26+,29-,30+,33-,34-,35+,36+,39+,40-/m1/s1
Molecular Formula C40H44N2O18
Molecular Weight 840.78
Density 1.68g/cm3
Boiling point 1120.3°C at 760 mmHg
Flash point 631.3°C
Refractive index 1.734