CAS Number
Molecular Formula
C50H82N8O16
Product format
Neat
Molecular Weight
1051.2
API Family
Synonyms
150283-04-8; Pneumocandin B0, 5-(threo-3-hydroxy-L-ornithine)-; L 731373; L-731, 373; Pneumocandin B0, 5-((3R)-3-hydroxy-L-ornithine)-; Pneumocandin B0, 5-[(3R)-3-hydroxy-L-ornithine]-; orb134713; Pneumocandin B0, 5-[(3R)-3-hydroxy-L-ornithine]-; N-[(3S, 6S, 9S, 11R, 15S, 18R, 20R, 21R, 24S, 25S)-3-[(1S)-3-amino-1-hydroxypropyl]-6-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 21, 25-tetrahydroxy-15-[(1S)-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; N-[[(1S)-3-amino-1-hydroxy-propyl]-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1S)-1-hydroxyethyl]-hexaoxo-[?]yl]-10 and 12-dimethyl-tetradecanamide
Iupac Name
N-[(3S, 6S, 9S, 11R, 15S, 18R, 20R, 21R, 24S, 25S)-3-[(1S)-3-amino-1-hydroxypropyl]-6-[(1S, 2S)-1, 2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11, 20, 21, 25-tetrahydroxy-15-[(1S)-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/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31+,32+,33-,34-,35-,36+,38-,39-,40-,41-,42-,43-,46+/m0/s1
