(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol
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![(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/229244d8fd3e4fdc838b6d0ef739debe.png "(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol")
(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol
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CAS No:
18463-31-5
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Formula:
C21H34O4
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Chemical Name:
(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol
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Synonyms:
Boucerin;18463-31-5;DTXSID70939853;pregn-5-ene-3,12,14,20-tetrol;14beta-Pregn-5-ene-3beta,12beta,14,20beta-tetrol;Pregn-5-ene-3,12,14,20-tetrol, (3beta,12beta,14beta,20R)-
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CAS No:
(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol Basic Attributes
350.5 g/mol
350.24570956 g/mol
Computed Properties
Molecular Weight:350.5
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:350.24570956
Monoisotopic Mass:350.24570956
Topological Polar Surface Area:80.9
Heavy Atom Count:25
Complexity:588
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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