Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]-
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![Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/db54fe234c3a4f9a8fcfc37b58223214.png "Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]-")
Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]-
structure -
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CAS No:
150840-47-4
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Formula:
C41H71NO4
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Chemical Name:
Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]-
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Synonyms:
150840-47-4;N-(3beta-Hydroxylupan-28-oyl)-11-aminoundecanoic acid;DTXSID90934082;Undecanoic acid, 11-(((3beta)-3-hydroxy-28-oxolupan-28-yl)amino)-;11-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-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-[(3,28-Dihydroxylupan-28-ylidene)amino]undecanoic acid;N-[3.beta.-Hydroxylupan-28-oyl]-11-aminoundecanoic acid;Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]-;11-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-1-isopropyl-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
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CAS No:
Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-28-oxolupan-28-yl]amino]- Basic Attributes
642.0 g/mol
641.53830975 g/mol
Computed Properties
Molecular Weight:642.0
XLogP3:11.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:641.53830975
Monoisotopic Mass:641.53830975
Topological Polar Surface Area:86.6
Heavy Atom Count:46
Complexity:1090
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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