8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid
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![8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/47b3962c590446aaa9cfa90dc8778bb5.png "8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid")
8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid
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CAS No:
150840-29-2
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Formula:
C38H63NO4
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Chemical Name:
8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid
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Synonyms:
150840-29-2;CHEMBL137174;DTXSID80934076;Betulinic acid NH-HepCOOH deriv.;Octanoic acid, 8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-;8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid;Octanoic acid, 8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-;8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-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]octanoic acid
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CAS No:
8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoic acid Basic Attributes
597.9 g/mol
597.47570949 g/mol
Computed Properties
Molecular Weight:597.9
XLogP3:9.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:597.47570949
Monoisotopic Mass:597.47570949
Topological Polar Surface Area:86.6
Heavy Atom Count:43
Complexity:1080
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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