(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
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![(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b24b41e7429b45ae88eba0dd35e7b68c.png "(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol")
(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
structure -
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CAS No:
18463-32-6
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Formula:
C21H36O4
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Chemical Name:
(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
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Synonyms:
Dihydroboucerin;18463-32-6;Boucerin, dihydro-;DTXSID30939854;Pregnane-3,12,14,20-tetrol;5alpha,14beta-Pregnane-3beta,12beta,14,20beta-tetrol;Pregnane-3,12,14,20-tetrol, (3beta,5alpha,12beta,14beta,20R)-
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CAS No:
(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol Basic Attributes
352.5 g/mol
352.26135963 g/mol
Computed Properties
Molecular Weight:352.5
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:352.26135963
Monoisotopic Mass:352.26135963
Topological Polar Surface Area:80.9
Heavy Atom Count:25
Complexity:538
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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