7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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![7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/652351f889f84a22b9389410a7890457.png "7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate")
7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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CAS No:
188112-82-5
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Formula:
C37H64N6O2
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Chemical Name:
7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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Synonyms:
batzelladine F;Batzelladine F;188112-82-5;6-((2aS,4R,7R,8aS)-7-Methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl)-1-methylhexyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate;6-[(2aS,4R,7R,8aS)-7-Methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl]-1-methylhexyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate;DTXSID50940301;677-EP2269978A2;677-EP2269983A1;677-EP2269984A1;677-EP2269985A2;677-EP2269991A2;677-EP2270006A1;677-EP2270010A1;677-EP2270114A1;677-EP2272517A1;677-EP2272813A2;677-EP2272825A2;677-EP2272826A1;677-EP2272830A1;677-EP2272842A1;677-EP2275395A2;677-EP2275398A1;677-EP2275404A1;677-EP2277867A2;677-EP2277877A1;677-EP2277898A2;677-EP2280001A1;677-EP2280003A2;677-EP2280005A1;677-EP2281821A1;677-EP2284150A2;677-EP2284151A2;677-EP2284152A2;677-EP2284153A2;677-EP2284155A2;677-EP2284156A2;677-EP2284164A2;677-EP2284165A1;677-EP2286811A1;677-EP2286812A1;677-EP2286915A2;677-EP2287140A2;677-EP2287141A1;677-EP2287148A2;677-EP2287150A2;677-EP2289871A1;677-EP2289883A1;677-EP2289884A1;677-EP2289893A1;677-EP2292227A2;677-EP2292590A2;677-EP2292593A2;677-EP2292597A1;677-EP2295407A1;677-EP2295419A2;677-EP2295503A1;677-EP2298312A1;677-EP2298732A1;677-EP2298734A2;677-EP2298736A1;677-EP2298738A1;677-EP2298775A1;677-EP2298777A2;677-EP2298783A1;677-EP2299785A1;677-EP2301534A1;677-EP2301911A1;677-EP2301912A2;677-EP2301913A1;677-EP2301914A1;677-EP2301916A2;677-EP2301932A1;677-EP2302003A1;677-EP2305250A1;677-EP2305637A2;677-EP2305676A1;677-EP2305677A1;677-EP2305679A1;677-EP2305685A1;677-EP2305686A1;677-EP2305695A2;677-EP2305696A2;677-EP2305697A2;677-EP2305698A2;677-EP2305825A1;677-EP2306788A1;677-EP2306789A1;677-EP2308479A2;677-EP2308832A1;677-EP2308833A2;677-EP2308861A1;677-EP2308863A1;677-EP2308865A1;677-EP2308872A1;677-EP2308873A1;677-EP2308874A1;677-EP2308882A1;677-EP2308960A1;677-EP2311451A1;677-EP2311796A1;677-EP2311797A1
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CAS No:
7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate Basic Attributes
624.9 g/mol
624.50907531 g/mol
Computed Properties
Molecular Weight:624.9
XLogP3:7.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:17
Exact Mass:624.50907531
Monoisotopic Mass:624.50907531
Topological Polar Surface Area:81.6
Heavy Atom Count:45
Complexity:1050
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation