[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
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![[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d22da3efee0041a1a1322872fd4bfe41.png "[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate")
[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
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CAS No:
1256-24-2
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Formula:
C25H34O7
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Chemical Name:
[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
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Synonyms:
1256-24-2;3-12-Formyl-digoxigenin;3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diformate;5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3,12-DIFORMATE;Card-20(22)-enolide, 3,12-bis(formyloxy)-14-hydroxy-, (3-beta,5-beta,12-beta)-;DTXSID40925182;3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide
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CAS No:
[(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate Basic Attributes
446.5 g/mol
446.23045342 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:446.23045342
Monoisotopic Mass:446.23045342
Topological Polar Surface Area:99.1
Heavy Atom Count:32
Complexity:838
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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