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Key Documents

719552

Sigma-Aldrich

17β-Estradiol-2,3,4-13C3

99 atom % 13C, 98% (CP)

Synonym(s):

1,3,5-Estratriene-3-17β-diol-13C3

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About This Item

Empirical Formula (Hill Notation):
13C3C15H24O2
CAS Number:
Molecular Weight:
275.36
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

isotopic purity

99 atom % 13C

Quality Level

assay

98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

178-179 °C (lit.)

mass shift

M+3

storage temp.

−20°C

SMILES string

O[13C]1=[13CH]C=C(C2=[13CH]1)[C@]3([H])[C@](CC2)([H])[C@@](CC[C@@H]4O)([H])[C@]4(C)CC3

InChI

1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3+1,10+1,12+1

InChI key

VOXZDWNPVJITMN-CLMZCXLCSA-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

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


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