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

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;

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 key

QQVJEIZJHDPTSH-FBNNKSCBSA-M

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

Quality Level

200