Molecular formula: | C48H78N7O20P3S |
Average mass: | 1198.163 |
Monoisotopic mass: | 1197.423519 |
ChemSpider ID: | 4444355 |
8 of 18 defined stereocentres
Double-bond stereo
(2E)-2-Méthyl-6-[(3R,5S,7R,12S)-3,7,12-trihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2-heptènethioate de S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphon ooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-diphosphaheptadécan-17-yle}
[French]
[ACD/IUPAC Name]Adenosine, 5′-O-[hydroxy[[hydroxy[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3α,5β,7α,8ξ,9ξ,10ξ,12α,13ξ,14ξ,17ξ,20ξ,24E)-3,7,12-trihydroxy-26-oxocholest-24-en-26-yl]thio]eth yl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3′-(dihydrogen phosphate)
[ACD/Index Name]S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-dipho sphaheptadecan-17-yl} (2E)-2-methyl-6-[(3R,5S,7R,12S)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptenethioate
[ACD/IUPAC Name]S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ~5~,5λ~5~-dipho sphaheptadecan-17-yl}-(2E)-2-methyl-6-[(3R,5S,7R,12S)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptenthioat
[German]
[ACD/IUPAC Name]3α,7α,12α-Trihydroxy-5β-cholest-24-enoyl-CoA