2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid
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![2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3419d4b8587647779e5bb7d93b02c05c.png "2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid")
2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid
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CAS No:
174740-59-1
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Formula:
C45H68N2O5
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Chemical Name:
2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid
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Synonyms:
174740-59-1;DTXSID00938571;N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-2-aminobenzoic acid;Benzoic acid, 2-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-;N'-[N-3.beta.-Hydroxylup-20(29)-en-28-oyl]-8-aminooctanoyl]-2-aminobenzoic acid;2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid;2-[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]octanoylamino]benzoic acid;Benzoic acid, 2-[[8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxooctyl]amino]-
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CAS No:
2-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]benzoic acid Basic Attributes
717.0 g/mol
716.51282327 g/mol
Computed Properties
Molecular Weight:717.0
XLogP3:11
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:716.51282327
Monoisotopic Mass:716.51282327
Topological Polar Surface Area:116
Heavy Atom Count:52
Complexity:1360
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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