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705705

Sigma-Aldrich

2-Methoxy-13C,d3-estrone

≥98 atom %, 98% (CP)

Synonym(s):

2,3-Dihydroxy-1,3,5(10)-estratrien-17-one-2-methyl-13C,d3-ether, 2-Hydroxyestrone 2-methyl-13C,d3-ether, 3-Hydroxy-2-methoxy-13C,d3-1,3,5(10)-estratrien-17-one

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About This Item

Empirical Formula (Hill Notation):
13CC18D3H21O3
CAS Number:
Molecular Weight:
304.40
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.24

isotopic purity

 13C
 D
≥98 atom %

Assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mass shift

M+4

storage temp.

−20°C

SMILES string

O=C1CC[C@@]([C@]1(C)CC2)([H])[C@@]3([H])[C@@]2([H])C4=C(CC3)C=C(O)C(O[13C]([2H])([2H])[2H])=C4

InChI

1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1D3

InChI key

WHEUWNKSCXYKBU-KXBYASRSSA-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 hazardEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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