(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
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![(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9359d95c721c4d8c8c3990839729c4e8.png "(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid")
(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
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CAS No:
124651-01-0
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Formula:
C24H33NO3
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Chemical Name:
(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
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Synonyms:
17-(N-t-butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid;17-BCETCA;124651-01-0;CHEMBL1627951;17-Bcetca;17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid;SCHEMBL7519874;DTXSID40924892;BDBM50403606;SKF-105656;17-[(tert-Butylimino)(hydroxy)methyl]estra-1(10),2,4-triene-3-carboxylic acid;Estra-1,3,5(10)-triene-3-carboxylic acid, 17-(((1,1-dimethylethyl)amino)carbonyl)-, (17beta)-
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CAS No:
(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid Basic Attributes
383.5 g/mol
383.24604391 g/mol
Computed Properties
Molecular Weight:383.5
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:383.24604391
Monoisotopic Mass:383.24604391
Topological Polar Surface Area:66.4
Heavy Atom Count:28
Complexity:638
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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