(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-24-oic acid
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(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-24-oic acid
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CAS No:
71883-64-2
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Formula:
C24H40O5
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Chemical Name:
(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3,7,12-trihydroxy-,(3α,5β,7α,12β)-;(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-24-oic acid;3α,7α,12β-Trihydroxy-5β-cholanoic acid;3α,7α,12β-Trihydroxy-5β-cholanic acid;12β-Hydroxyisocholic acid;Lagocholic acid;121571-07-1
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CAS No:
Description
Solid
3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid is a trihydroxy-5beta-cholanic acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 12 (the 3alpha,7alpha,12beta stereoisomer). It has a role as a human metabolite. It is a conjugate acid of a 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate.
(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-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:408.6
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:408.28757437
Monoisotopic Mass:408.28757437
Topological Polar Surface Area:98
Heavy Atom Count:29
Complexity:637
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3α,5β,7α,12β)-3,7,12-Trihydroxycholan-24-oic acid
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