Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-
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![Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f3bb461d29174e7b9f1a5ae7bf864a0d.png "Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-")
Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-
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CAS No:
150840-41-8
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Formula:
C42H71NO4
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Chemical Name:
Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-
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Synonyms:
150840-41-8;Betulinic acid NH-UndecCOOH deriv.;DTXSID30934081;N-(3beta-Hydroxylup-20(29)-en-28-oyl)-12-aminododecanoic acid;Dodecanoic acid, 12-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-;N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-12-aminododecanoic acid;12-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}dodecanoic acid;Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-;12-[[(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]dodecanoic acid
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CAS No:
Dodecanoic acid, 12-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]- Basic Attributes
654.0 g/mol
653.53830975 g/mol
Computed Properties
Molecular Weight:654.0
XLogP3:11.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:653.53830975
Monoisotopic Mass:653.53830975
Topological Polar Surface Area:86.6
Heavy Atom Count:47
Complexity:1150
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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