5β-Cholestane-3α,7α,12α-triol
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5β-Cholestane-3α,7α,12α-triol
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CAS No:
547-96-6
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Formula:
C27H48O3
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Chemical Name:
5β-Cholestane-3α,7α,12α-triol
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Synonyms:
Cholestane-3,7,12-triol,(3α,5β,7α,12α)-;5β-Cholestane-3α,7α,12α-triol;(3α,5β,7α,12α)-Cholestane-3,7,12-triol;Trihydroxycoprostane;3α,7α,12α-Trihydroxycoprostane;5β-Cholestan-3α,7α,12α-triol
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CAS No:
Description
White to Off-White Solid
Solid
5beta-cholestane-3alpha,7alpha,12alpha-triol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a 12alpha-hydroxy steroid. It has a role as a human metabolite and a mouse metabolite. It derives from a hydride of a 5beta-cholestane.
Characteristics
60.69000
5.41020
Solid
1.051g/cm3
186-187.5 °C @ Solvent: Acetone
535.5ºC at 760 mmHg
222.8ºC
1.529
Drug Information
Trihydroxycoprostane has known human metabolites that include Cholestane-3,7,12,25-tetrol.
3,7,12-trihydroxycholestane
5β-Cholestane-3α,7α,12α-triol Use and Manufacturing
A sterol, similar to cholesterol and is a substrate for the sterol 27-hydroxylase enzyme in the bile salt synthetic pathway. The accumulation of this compound in urine can manifest as jaundice or, in more extreme cases, is a sign of Xanthomatosis.
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C27 bile acids, alcohols, and derivatives [ST0403]
Computed Properties
Molecular Weight:420.7
XLogP3:6.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.36034539
Monoisotopic Mass:420.36034539
Topological Polar Surface Area:60.7
Heavy Atom Count:30
Complexity:605
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
