4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
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![4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/89ae9da093a94222af409472e01e7dd3.png "4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid")
4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
structure -
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CAS No:
96426-15-2
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Formula:
C35H54O8
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Chemical Name:
4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
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Synonyms:
96426-15-2;7alpha-Hydroxycholesterol bishemisuccinate;DTXSID20914519;4,4'-[Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid)
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CAS No:
4-[[(3S,7S,8S,9S,10R,13R,14S)-7-(3-carboxypropanoyloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Basic Attributes
602.8 g/mol
602.38186868 g/mol
Computed Properties
Molecular Weight:602.8
XLogP3:7.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:602.38186868
Monoisotopic Mass:602.38186868
Topological Polar Surface Area:127
Heavy Atom Count:43
Complexity:1080
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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