740985
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
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Isotopic purity:
13C, D, ≥98 atom %
Assay:
98% (CP)
Mass shift:
M+4
Form:
powder
Quality Level
isotopic purity
13C, D, ≥98 atom %
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
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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