Trihydroxycoprostanic acid
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Trihydroxycoprostanic acid
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CAS No:
547-98-8
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Formula:
C27H46O5
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Chemical Name:
Trihydroxycoprostanic acid
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Synonyms:
Cholestan-26-oic acid,3,7,12-trihydroxy-,(3α,5β,7α,12α)-;5β-Cholestan-26-oic acid,3α,7α,12α-trihydroxy-;(3α,5β,7α,12α)-3,7,12-Trihydroxycholestan-26-oic acid;5β-Cholestane-3α,7α,12α-triol-26-oic acid;3α,7α,12α-Trihydroxycoprostanic acid;3α,7α,12α-Trihydroxy-5β-cholestan-26-oic acid;Coprocholic acid;Trihydroxycoprostanic acid;Trihydroxycoprostanoic acid;123284-68-4;72904-87-1
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CAS No:
Description
ChEBI: A steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions.
Solid
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid is a steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid, a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a steroid acid. It is a conjugate acid of a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate(1-). It derives from a hydride of a 5beta-cholestane.
Trihydroxycoprostanic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403]
Computed Properties
Molecular Weight:450.7
XLogP3:5.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:450.33452456
Monoisotopic Mass:450.33452456
Topological Polar Surface Area:98
Heavy Atom Count:32
Complexity:696
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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