(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal
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![(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fe7264226c3e4f69b1b89fcf9f56b000.png "(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal")
(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal
structure -
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CAS No:
78094-13-0
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Formula:
C27H44O4
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Chemical Name:
(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal
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Synonyms:
7 alpha,12 alpha-dihydroxy-3-oxo-5 beta-cholestan-26-al;7,12-DOHOCA;78094-13-0;7,12-Dohoca;DTXSID00999324;7,12-Dihydroxy-3-oxocholestan-26-al;7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-al;Cholestan-26-al, 7,12-dihydroxy-3-oxo-, (5beta,7alpha,12alpha,25R)-
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CAS No:
(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanal Basic Attributes
432.6 g/mol
432.32395988 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:432.32395988
Monoisotopic Mass:432.32395988
Topological Polar Surface Area:74.6
Heavy Atom Count:31
Complexity:691
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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