CAS Number
Molecular Formula
C52H88N10O15
Product format
Neat
Molecular Weight
1093.33
API Family
Synonyms
Caspofungin Impurity C; Caspofungin Impurity I; 251095-73-5; SCHEMBL7965757; Caspofungin Acetate C0 Analog(Caspofungin EP Impurity F)(RRT=1.1); (10R, 12S)-N-((2R, 6S, 9S, 11R, 12S, 14aS, 16R, 20S, 23S, 25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2, 11, 16-trihydroxy-6-((R)-1-hydroxyethyl)-5, 8, 14, 19, 22, 25-hexaoxotetracosahydro-1H-dipyrrolo[2, 1-c:2', 1'-l][1, 4, 7, 10, 13, 16]hexaazacyclohenicosin-9-yl)-10 and 12-dimethyltetradecanamide
Iupac Name
(10R, 12S)-N-[(3S, 6S, 9S, 11R, 15S, 18S, 20R, 21S, 24S, 26R)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 26-trihydroxy-15-[(1R)-1-hydroxyethyl]-2, 5, 8, 14, 17, 23-hexaoxo-1, 4, 7, 13, 16, 22-hexazatricyclo[22.3.0.09, 13]heptacosan-18-yl]-10 and 12-dimethyltetradecanamide
InChI
InChI=1S/C52H88N10O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(69)56-35-25-39(68)46(55-21-20-54)60-49(74)37-24-34(66)27-62(37)52(77)42(38(67)18-19-53)58-50(75)43(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)36-23-33(65)26-61(36)51(76)41(30(4)63)57-47(35)72/h14-17,28-30,33-39,41-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,75)(H,59,73)(H,60,74)/t28-,29+,30+,33+,34+,35-,36-,37-,38+,39+,41-,42-,43-,44-,45-,46-/m0/s1
