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740985

Sigma-Aldrich

Pregnenolone-20,21-13C2-16,16-d2 sulfate sodium salt

≥98 atom %, 98% (CP)

Synonym(s):

3β-Hydroxy-5-pregnen-20-one 3-sulfate-20,21-13C2-16,16-d2, 5-Pregnen-3β-ol-20-one sulfate-20,21-13C2-16,16-d2

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About This Item

Empirical Formula (Hill Notation):
13C2C19D2H29NaO5S
Molecular Weight:
422.52
MDL number:
MFCD19686960
UNSPSC Code:
12352200
PubChem Substance ID:
329765457
NACRES:
NA.24

isotopic purity

 13C
 D
≥98 atom %

Quality Level

200

assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

192 °C (lit.)

mass shift

M+4

storage temp.

−20°C

SMILES string

[Na+].[2H]C1([2H])C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[13C]([13CH3])=O)OS([O-])(=O)=O

InChI

1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15-,16-,17+,18-,19-,20-,21+;/m0./s1/i1+1,6D2,13+1;

InChI key

QQVJEIZJHDPTSH-FBNNKSCBSA-M

Related Categories

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.

Storage Class

11 - Combustible Solids

wgk_germany

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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