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719544

Sigma-Aldrich

Estrone-2,3,4-13C3

99 atom % 13C, 98% (CP)

Synonym(s):

1,3,5(10)-Estratrien-3-ol-17-one-13C3, 3-Hydroxy-1,3,5(10)-estratrien-17-one-13C3

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About This Item

Empirical Formula (Hill Notation):
13C3C15H22O2
CAS Number:
Molecular Weight:
273.34
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

isotopic purity

99 atom % 13C

Quality Level

Assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

258-260 °C (lit.)

mass shift

M+3

storage temp.

−20°C

SMILES string

O[13C]1=[13CH]C=C2C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4=O)=[13CH]1

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/i3+1,10+1,12+1

InChI key

DNXHEGUUPJUMQT-JTCDCFKFSA-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

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Carc. 1B - Repr. 1B

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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