Secalciferol 3-Sulfate-d6 Sodium Salt

• CAT Number: R017459
• CAS Number: NA
• Molecular Formula: C₂₇H₃₇D₆NaO₆S
• Molecular Weight: 524.72
• Purity: ≥95%
• Synonyms: (3β,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-trio-d6l 3-(hydrogen sulfate) Sodium Salt
• Storage: -20°C
• IUPAC Name: sodium;[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R,5R)-7,7,7-trideuterio-5,6-dihydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] sulfate
• InChI: InChI=1S/C27H44O6S.Na/c1-18-8-12-22(33-34(30,31)32)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(28)26(3,4)29;/h10-11,19,22-25,28-29H,1,6-9,12-17H2,2-5H3,(H,30,31,32);/q;+1/p-1/b20-10+,21-11-;/t19-,22+,23-,24+,25-,27-;/m1./s1/i3D3,4D3
• InChIKey: UMPYWBPNSOTBJZ-TVKGPNASSA-M
• SMILES: [2H]C([2H])([2H])C([C@@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)[O-])C)O)(C([2H])([2H])[2H])O.[Na+]

Secalciferol 3-Sulfate-d6 Sodium Salt is a deuterium-labeled derivative of secalciferol, featuring six deuterium atoms. This isotopically labeled compound is crucial for advanced research in vitamin D metabolism, bone health studies, and drug development. The deuterium labeling enhances the accuracy of analytical techniques like mass spectrometry and NMR spectroscopy, allowing precise tracking of metabolic processes and pharmacokinetics. Secalciferol 3-Sulfate-d6 Sodium Salt is ideal for use in pharmaceutical research and clinical studies, providing reliable and consistent results in the investigation of vitamin D analogs and their biological effects.