4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid
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![4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cac365ccc60c4a0a8d83d3fc67c62175.png "4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid")
4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid
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CAS No:
55592-40-0
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Formula:
C22H30O4
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Chemical Name:
4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid
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Synonyms:
55592-40-0;Estradiol-7alpha-butyric acid;DTXSID40970935;4-[3,17-Dihydroxyestra-1(10),2,4-trien-7-yl]butanoic acid;3,17beta-Dihydroxy-1,3,5(10)-estratriene-7alpha-butanoic acid
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CAS No:
4-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]butanoic acid Basic Attributes
358.5 g/mol
358.21440943 g/mol
Computed Properties
Molecular Weight:358.5
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:358.21440943
Monoisotopic Mass:358.21440943
Topological Polar Surface Area:77.8
Heavy Atom Count:26
Complexity:534
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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