7,12-Dioxo-5β-cholan-24-oic acid
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7,12-Dioxo-5β-cholan-24-oic acid
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CAS No:
21059-35-8
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Formula:
C24H36O4
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Chemical Name:
7,12-Dioxo-5β-cholan-24-oic acid
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Synonyms:
7,12-Dioxo-5beta-cholan-24-oic Acid;7,12-Dioxo-5b-cholan-24-oic acid;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;LMST04010140;SCHEMBL21023361;CHEBI:166721;7,12-diketo-5beta-cholanoic acid;7,12-Dioxocholan-24-oic acid #;5.beta.-Cholan-24-oic acid, 7,12-dioxo-;Cholan-24-oic acid, 7,12-dioxo-, (5.beta.)-
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CAS No:
7,12-Dioxo-5β-cholan-24-oic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:388.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:388.26135963
Monoisotopic Mass:388.26135963
Topological Polar Surface Area:71.4
Heavy Atom Count:28
Complexity:684
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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