3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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![3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/570dd48bbe1f4681be4ef4d17dcf4ef3.png "3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one")
3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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CAS No:
86887-36-7
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Formula:
C23H34O6
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Chemical Name:
3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Synonyms:
86887-36-7;Card-20(22)-enolide, 3,11,14,19-tetrahydroxy-, (3beta,5beta,11alpha)-;DTXSID901007167;3,11,14,19-Tetrahydroxycard-20(22)-enolide
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CAS No:
3-[(3S,5R,8R,9S,10R,11R,13R,17R)-3,11,14-trihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Basic Attributes
406.5 g/mol
406.23553880 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:406.23553880
Monoisotopic Mass:406.23553880
Topological Polar Surface Area:107
Heavy Atom Count:29
Complexity:735
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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