CAS Number
Molecular Formula
C50H80N8O17
Product format
Neat
Molecular Weight
1065.23
API Family
Synonyms
Pneumocandin C(0); Pneumocandin C0; 144074-96-4; N-[(3S, 6S, 9S, 11R, 15S, 20S, 21R, 24S, 26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 21, 26-tetrahydroxy-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, 12-dimethyltetradecanamide; Pneumocandin Bo, 6-(trans-4-hydroxy-L-proline)-; Pneumocandin Co; SCHEMBL1162942; EX-A3229; N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(2R)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10 and 12-dimethyl-tetradecanamide
Iupac Name
N-[(3S, 6S, 9S, 11R, 15S, 20S, 21R, 24S, 26R)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(2R)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 21, 26-tetrahydroxy-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/C50H80N8O17/c1-5-25(2)18-26(3)12-10-8-6-7-9-11-13-38(66)52-32-21-36(64)47(72)56-46(71)34-20-31(62)24-58(34)50(75)40(35(63)22-37(51)65)54-48(73)41(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)33-19-30(61)23-57(33)49(74)39(27(4)59)53-44(32)69/h14-17,25-27,30-36,39-43,47,59-64,67-68,72H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,73)(H,55,70)(H,56,71)/t25?,26?,27-,30-,31-,32?,33+,34+,35-,36+,39+,40+,41+,42-,43?,47-/m1/s1
