5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
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![5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b539d87c70444e1293d857df64a0343d.png "5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one")
5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
structure -
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CAS No:
22612-48-2
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Formula:
C24H32O3
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Chemical Name:
5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
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Synonyms:
14-Anhydrobufalin;14-Dehydrobufalin;22612-48-2;NSC248522;5.beta.-Bufa-14,20,22-trienolide, 3.beta.-hydroxy-;DTXSID70945272;7439-77-2;Bufa-14,20,22-trienolide, 3-hydroxy-, (3.beta.,5.beta.)-;NSC248520;3-Hydroxybufa-14,20,22-trienolide;NSC-248520;NSC-248522;3-Hydroxybufa-14,20,22-trienolide #;5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one;5.beta.-Bufa-14,22-trienolide, 3.beta.-hydroxy-;Bufa-14,22-trienolide, 3-hydroxy-, (3.beta.,5.beta.)-
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CAS No:
5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one Basic Attributes
368.5 g/mol
368.23514488 g/mol
248522|248520
Computed Properties
Molecular Weight:368.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:368.23514488
Monoisotopic Mass:368.23514488
Topological Polar Surface Area:46.5
Heavy Atom Count:27
Complexity:747
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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