11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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
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![11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dd810761a361420d9a9c55f2022ea8fb.png "11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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
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CAS No:
150840-49-6
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Formula:
C40H67NO5
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Chemical Name:
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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
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Synonyms:
150840-49-6;30-Norlupane, undecanoic acid deriv.;DTXSID50934083;N-(3beta-Hydroxy-30-nor-20-oxolupan-28-oyl)-11-aminoundecanoic acid;Undecanoic acid, 11-(((3beta)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl)amino)-;11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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;N-[3.beta.-Hydroxy-30-nor-20-oxolupan-28-oyl]-11-aminoundecanoic acid;Undecanoic acid, 11-[[(3.beta.)-3-hydroxy-20,28-dioxo-30-norlupan-28-yl]amino]-;11-{[(1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl)(hydroxy)methylidene]amino}undecanoic acid
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CAS No:
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-1-acetyl-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 Basic Attributes
642.0 g/mol
641.50192424 g/mol
Computed Properties
Molecular Weight:642.0
XLogP3:9.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:641.50192424
Monoisotopic Mass:641.50192424
Topological Polar Surface Area:104
Heavy Atom Count:46
Complexity:1130
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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