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(3beta,5beta,11alpha)-3-{[8-({(1R)-1-carboxy-4-[(diaminomethylidene)amino]butyl}amino)-8-oxooctanoyl]oxy}-11,14-dihydroxy-12-oxobufa-20,22-dienolide (59969-42-5)

Identification
Name:(3beta,5beta,11alpha)-3-{[8-({(1R)-1-carboxy-4-[(diaminomethylidene)amino]butyl}amino)-8-oxooctanoyl]oxy}-11,14-dihydroxy-12-oxobufa-20,22-dienolide
Synonyms:Areno-bufotoxin;BRN 1676875;AC1L5592;LS-21564;(2R)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid;59969-42-5
CAS:59969-42-5
Molecular Formula: C38H56N4O10
Molecular Weight: 728.872
InChI: InChI=1/C38H56N4O10/c1-36-17-15-24(52-30(45)10-6-4-3-5-9-28(43)42-27(34(48)49)8-7-19-41-35(39)40)20-23(36)12-13-26-31(36)32(46)33(47)37(2)25(16-18-38(26,37)50)22-11-14-29(44)51-21-22/h11,14,21,23-27,31-32,46,50H,3-10,12-13,15-20H2,1-2H3,(H,42,43)(H,48,49)(H4,39,40,41)/t23-,24+,25-,26-,27-,31-,32+,36+,37+,38+/m1/s1
Molecular Structure: (C38H56N4O10) Areno-bufotoxin;BRN 1676875;AC1L5592;LS-21564;(2R)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5R,8R,9S,...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.43g/cm3
Refractive index:1.65
Flash Point: °C
Safety Data
 

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