5-BETA-CHOLANICACID-3,7,12-TRIONEMETHYLESTER
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5-BETA-CHOLANICACID-3,7,12-TRIONEMETHYLESTER
structure -
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CAS No:
7727-82-4
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Formula:
C25H36O5
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Chemical Name:
5-BETA-CHOLANICACID-3,7,12-TRIONEMETHYLESTER
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Synonyms:
Methyl 3,7,12-trioxocholan-24-oate;NSC525358;Cholan-24-oic acid, 3,7,12-trioxo-, methyl ester;CTK2I0382;DTXSID80326215;AKOS024319314;MCULE-7645416747;NSC-525358;methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
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CAS No:
Computed Properties
Molecular Weight:416.5
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:416.25627424
Monoisotopic Mass:416.25627424
Topological Polar Surface Area:77.5
Heavy Atom Count:30
Complexity:772
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-BETA-CHOLANICACID-3,7,12-TRIONEMETHYLESTER
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