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2-Butenoicacid, 4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,(2R,4R,5S,6R)-tetrahydro-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-5-methyl-6-(1-methylethyl)-2H-pyran-4-ylester, (2E)- (88899-56-3)

Identification
Name:2-Butenoicacid, 4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,(2R,4R,5S,6R)-tetrahydro-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methylbutyl]-5-methyl-6-(1-methylethyl)-2H-pyran-4-ylester, (2E)-
Synonyms:Hygrolidin,37-decarboxy-2-demethyl-37-[[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]carbonyl]-2-methoxy-24-methyl-;Oxacyclohexadecane, hygrolidin deriv.; 2-Butenoic acid,4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,tetrahydro-2-hydroxy-2-[2-hydroxy-3-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl)-1-methylbutyl]-5-methyl-6-(1-methylethyl)-2H-pyran-4-ylester,[2R-[2R*[1S*[2R*,4R*(E),5S*,6R*],2R*,3S*],3S*,4E,6E,9S*,10S*,11R*,12E,14Z]]-;Bafilomycin B1; Setamycin
CAS:88899-56-3
Molecular Formula: C44H65 N O13
Molecular Weight: 815.9858
InChI: InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21+/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1
Molecular Structure: (C44H65NO13) Hygrolidin,37-decarboxy-2-demethyl-37-[[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]carbonyl]-2-methox...
Properties
Transport:UN 3462 6.1/PG 1
Flash Point: 521.9ºC
Boiling Point: 939.4 ºC
Density:1.22 g/cm3
Water Solubility:Soluble in ethanol, methanol, DMF or DMSO. Note, forms methyl ketal on long
Solubility:Soluble in ethanol, methanol, DMF or DMSO. Note, forms methyl ketal on long
Appearance:White powder
Flash Point: 521.9ºC
Storage Temperature: −20°C
Safety Data
Hazard Symbols T+: Very toxic
 

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