4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid
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![4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5391bfcd83e541479d4036625a8c30fc.png "4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid")
4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid
structure -
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CAS No:
84371-31-3
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Formula:
C22H26O7
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Chemical Name:
4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid
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Synonyms:
3,6 alpha,16 alpha-trihydroxy-1,3,5(10)-estratrien-17-one 6-hemisuccinate;6 alpha,16 alpha-dihydroxyestrone 6-hemisuccinate;6,16-DHEHS;84371-31-3;6,16-Dhehs;DTXSID101004652;6alpha,16alpha-Dihydroxyestrone 6-hemisuccinate;3,6alpha,16alpha-Trihydroxy-1,3,5(10)-estratrien-17-one 6-hemisuccinate;4-{[3,16-Dihydroxy-17-oxoestra-1,3,5(10)-trien-6-yl]oxy}-4-oxobutanoic acid;Estra-1,3,5(10)-trien-17-one, 6-(3-carboxy-1-oxopropoxy)-3,16-dihydroxy-, (6alpha,16alpha)-
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CAS No:
4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid Basic Attributes
402.4 g/mol
402.16785316 g/mol
Computed Properties
Molecular Weight:402.4
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:402.16785316
Monoisotopic Mass:402.16785316
Topological Polar Surface Area:121
Heavy Atom Count:29
Complexity:691
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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