Synonym: 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
Empirical Formula (Hill Notation): 13C2C19D2H29NaO5S
Molecular Weight: 422.52
MDL Number: MFCD19686960
Linear Formula: 13C2C19D2H29NaO5S
Product Type: Chemical
| assay |
98% (CP) |
| form |
powder |
| 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 |
| isotopic purity |
13C |
| |
D |
| |
≥98 atom % |
| mass shift |
M+4 |
| mp |
192 °C (lit.) |
| Quality Level |
200  |
| 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 |
| storage temp. |
−20°C |
| technique(s) |
mass spectrometry (MS): suitable |
| 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 . |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
98% (CP) |
| mp |
192 °C (lit.) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
