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Merck
CN

SMB01414

Estrone-O-β-D-Glucuronide

≥95% (HPLC)

Synonym(s):

Estrone 3-glucuronide, Estrone glucuronide

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About This Item

Empirical Formula (Hill Notation):
C24H30O8
CAS Number:
2479-90-5
Molecular Weight:
446.49
UNSPSC Code:
51351631
NACRES:
NA.21
Biological source:
synthetic
Form:
powder
Assay:
≥95% (HPLC)

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InChI

InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1

InChI key

FJAZVHYPASAQKM-JBAURARKSA-N

SMILES string

C[C@@]12[C@](CCC2=O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)C=C4CC3

biological source

synthetic

assay

≥95% (HPLC)

form

powder

technique(s)

mass spectrometry (MS): suitable

color

white to off-white

mp

254.5

application(s)

metabolomics

storage temp.

−20°C

Quality Level

200

Related Categories

General description

Estrone-glucuronide is a predominant metabolite of estradiol. It is a human metabolite and is related to estrone. Estrone glucuronide is formed as result of UDP transferase reaction resulting in much more water solubility. In general glucuronides are the most abundant estrogen conjugates.

Application

Metabolite studies, Study of Biochemical pathways, Metabolic pathways

Features and Benefits

High purity compound

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000475569
0000475569
0000451732
0000451732

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