1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
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![1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6b64fba06afd4afbac4512c9590d0187.png "1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone")
1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
structure -
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CAS No:
137548-56-2
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Formula:
C20H24Br2O3
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Chemical Name:
1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone
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Synonyms:
2,4-DBAES;2,4-dibromo-17-acetylestradiol;137548-56-2;2,4-Dbaes;2,4-Dibromo-17-acetylestradiol;DTXSID60929824;2,4-Dibromo-17alpha-acetylestradiol;2,4-Dibromo-3,17-dihydroxy-19-norpregna-1(10),2,4-trien-20-one
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CAS No:
1-[(8R,9S,13S,14S,17S)-2,4-dibromo-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanone Basic Attributes
472.2 g/mol
472.00717 g/mol
Computed Properties
Molecular Weight:472.2
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:472.00717
Monoisotopic Mass:470.00922
Topological Polar Surface Area:57.5
Heavy Atom Count:25
Complexity:569
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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