(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid
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![(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e6c5178daabe45b0aea5eddc42979463.png "(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid")
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid
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CAS No:
173106-27-9
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Formula:
C39H65NO6
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Chemical Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid
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Synonyms:
173106-27-9;DTXSID60938310;29,30-Dinorlupan-20-oic acid, 28-((10-carboxydecyl)amino)-3-hydroxy-28-oxo-, (3beta)-;N-(19-Carboxy-3beta-hydroxy-20,29,30-trinorlupan-28-oyl)-11-aminoundecanoic acid;29,30-Dinorlupan-20-oic acid, 28-[(10-carboxydecyl)amino]-3-hydroxy-28-oxo-, (3beta.)-;N-[19-Carboxy-3.beta.-hydroxy-20,29,30-trinorlupan-28-oyl]-11-aminoundecanoic acid;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-9-hydroxy-3a-[(11-hydroxy-11-oxo-undecyl)carbamoyl]-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-1-carboxylic acid;3a-{[(10-Carboxydecyl)imino](hydroxy)methyl}-9-hydroxy-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-1-carboxylic acid
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CAS No:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-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-1-carboxylic acid Basic Attributes
643.9 g/mol
643.48118879 g/mol
Computed Properties
Molecular Weight:643.9
XLogP3:9.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:643.48118879
Monoisotopic Mass:643.48118879
Topological Polar Surface Area:124
Heavy Atom Count:46
Complexity:1140
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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