7alpha,12alpha-dihydroxy-3-oxopregna-1,4-diene-20-carboxylicacid
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7alpha,12alpha-dihydroxy-3-oxopregna-1,4-diene-20-carboxylicacid
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CAS No:
70643-61-7
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Formula:
C22H30O5
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Chemical Name:
7alpha,12alpha-dihydroxy-3-oxopregna-1,4-diene-20-carboxylicacid
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Synonyms:
7 alpha,12 alpha-dihydroxy-3-oxopregna-1,4-diene-20-carboxylic acid;CTK2H8935;7alpha,12alpha-Dihydroxy-3-oxopregna-1,4-diene-20-carboxylic acid;2-[(7R,8R,9S,10R,12S,13S,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid;(7alpha,12alpha)-7,12-Dihydroxy-3-oxopregna-1,4-diene-20-carboxylic acid;Pregna-1,4-diene-20-carboxylicacid, 7,12-dihydroxy-3-oxo-, (7a,12a)- (9CI)
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CAS No:
Computed Properties
Molecular Weight:374.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:374.20932405
Monoisotopic Mass:374.20932405
Topological Polar Surface Area:94.8
Heavy Atom Count:27
Complexity:739
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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