Estradiol 3-glucuronide
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Estradiol 3-glucuronide
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CAS No:
15270-30-1
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Formula:
C24H32O8
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Chemical Name:
Estradiol 3-glucuronide
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Synonyms:
β-D-Glucopyranosiduronic acid,(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl;Glucopyranosiduronic acid,17β-hydroxyestra-1,3,5(10)-trien-3-yl,β-D-;β-D-Glucosiduronic acid,17β-hydroxyestra-1,3,5(10)-trien-3-yl;Estrane,β-D-glucopyranosiduronic acid deriv.;(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid;17β-Estradiol 3-glucosiduronate;Estradiol 3-glucosiduronate;17β-Estradiol 3-glucuronide;Estradiol 3-glucuronide;Estradiol-17β-3-(β-D-glucuronide);125992-28-1;27851-72-5;76663-49-5
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CAS No:
Description
Solid
17beta-estradiol 3-glucosiduronic acid is a steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 3 via a glycosidic linkage. It has a role as a human metabolite and a mouse metabolite. It is a 17beta-hydroxy steroid, a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It derives from a 17beta-estradiol. It is a conjugate acid of a 17beta-estradiol 3-O-(beta-D-glucuronide)(1-).
Estradiol 3-glucuronide Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Computed Properties
Molecular Weight:448.5
XLogP3:1.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:448.20971797
Monoisotopic Mass:448.20971797
Topological Polar Surface Area:137
Heavy Atom Count:32
Complexity:716
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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