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489204

Sigma-Aldrich

Estrone-2,4,16,16-d4

95 atom % D

Synonym(s):

1,3,5(10)-Estratrien-3-ol-17-one-D4, 3-Hydroxy-1,3,5(10)-estratrien-17-one-D4, Deuterated estrone, Deuterated folliculin

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About This Item

Empirical Formula (Hill Notation):
C18D4H18O2
CAS Number:
53866-34-5
Molecular Weight:
274.39
MDL number:
MFCD01074157
UNSPSC Code:
12352211
PubChem Substance ID:
24872463
NACRES:
NA.12

isotopic purity

95 atom % D

form

solid

optical activity

[α]20/D +161°, c = 1 in dioxane

technique(s)

mass spectrometry (MS): suitable

mp

258-260 °C (lit.)

mass shift

M+4

SMILES string

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1O

InChI

1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D

InChI key

DNXHEGUUPJUMQT-QSPUTOQOSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Health hazard
GHS08

signalword

Danger

Hazard Classifications

Carc. 2 - Lact. - Repr. 1A

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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Wei Chen et al.
Water research, 137, 211-219 (2018-03-20)
A passive water sampler based on the diffusive gradients in thin-films (DGT) technique was developed and tested for 3 groups of endocrine disrupting chemicals (EDCs, including oestrogens, alkyl-phenols and bisphenols). Three different resins (hydrophilic-lipophilic-balanced (HLB), XAD18 and Strata-XL-A (SXLA)) were
Weiwei Yu et al.
Journal of hazardous materials, 396, 122657-122657 (2020-05-04)
17β-Estradiol (17β-E2) as a non-conventional pollutant with high damage, the effective removal of 17β-E2 had been studied wildly. In recent years, nano materials application enabled the rapid removal of 17β-E2. Nano zero valent iron (nZVI) as one of the most
Stefan Poschner et al.
Frontiers in pharmacology, 8, 699-699 (2017-10-21)
The beneficial effect of dietary soy food intake, especially for women diagnosed with breast cancer, is controversial, as
T Coello-Garcia et al.
Water research, 164, 114905-114905 (2019-08-09)
The removal of β-estradiol (E2) and α-ethinylestradiol (EE2) in biological wastewater treatment plants (WWTP) would need to be improved in order to comply with prospective Environmental Quality Standards (EQS) of 0.4 and 0.035 ng.L-1 respectively. The effluent concentration of a micropollutant
Xiaoguang Sunny Li et al.
Talanta, 178, 464-472 (2017-11-16)
Accurate quantitation of estrogens (i.e, estrone (E1), estradiol (E2) and estriol (E3)) is valuable for clinical assessment of human health and disease. Alterations in estrogen levels have been implicated in numerous pathological conditions. However, inadequacies in sensitivity and specificity, cumbersome
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