11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid
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![11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2c0fb848734a46ae8c35fa3d4f3139a2.png "11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid")
11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid
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CAS No:
173106-37-1
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Formula:
C47H82N2O4S
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Chemical Name:
11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid
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Synonyms:
173106-37-1;DTXSID20938311;N-(3beta-Hydroxy-30-(((2,2-diethylamino)ethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid;Undecanoic acid, 11-(((3beta)-30-((2-(diethylamino)ethyl)thio)-28-oxolup-20(29)-en-28-yl)amino)-;11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[1-(2-diethylaminoethylsulfanylmethyl)vinyl]-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid;11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid;11-{[29-{[2-(Diethylamino)ethyl]sulfanyl}-3,28-dihydroxylup-20(30)-en-28-ylidene]amino}undecanoic acid;N-[3.beta.-Hydroxy-30-[[(2,2-diethylamino)ethyl]thio]lup-20(29)-en-28-oyl]-11-aminoundecanoic acid;Undecanoic acid, 11-[[(3.beta.)-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]-
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CAS No:
11-[[3beta-Hydroxy-30-[[2-(diethylamino)ethyl]thio]-28-oxolup-20(29)-en-28-yl]amino]undecanoic acid Basic Attributes
771.2 g/mol
770.59953027 g/mol
Computed Properties
Molecular Weight:771.2
XLogP3:9.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:20
Exact Mass:770.59953027
Monoisotopic Mass:770.59953027
Topological Polar Surface Area:115
Heavy Atom Count:54
Complexity:1280
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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