(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
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(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
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CAS No:
76060-22-5
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Formula:
C30H48O11
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Chemical Name:
(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,(3α,5β,7α,12α)-23-carboxy-7,12-dihydroxy-24-norcholan-3-yl;(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid;Cholic acid 3-O-glucuronide;105989-41-1;126201-35-2;79252-53-2
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CAS No:
(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid Basic Attributes
584.703
584.70
EBS4S6OAM3
Drug Information
Cholic acid glucuronide is a known human metabolite of Cholic acid.
7,12-dihydroxy-3-O-(beta-D-glucopyranosyluronate)-5 beta-cholan-24-oate
(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Computed Properties
Molecular Weight:584.7
XLogP3:2.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:584.31966234
Monoisotopic Mass:584.31966234
Topological Polar Surface Area:194
Heavy Atom Count:41
Complexity:992
Defined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3α,5β,7α,12α)-23-Carboxy-7,12-dihydroxy-24-norcholan-3-yl β-D-glucopyranosiduronic acid
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