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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

Quality Level

200

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

Signal Word

Danger

Hazard Statements

H351,H360FD,H362

Hazard Classifications

Carc. 2 - Lact. - Repr. 1A

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD4407
TA1620V
TA2064V
10984MI
14179AO

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