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

Properties

• 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

Description

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.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable