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Vitamin D3 Sulfate Sodium Salt

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For Research Use Only | Not For Clinical Use
CATAPS78392275
CAS78392-27-5
Structure
IUPAC Namesodium;[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] sulfate
Molecular Weight486.68
Molecular FormulaC27H43O4S.Na
Canonical SMILES[Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)[O-])\CCC[C@]12C
InChIInChI=1S/C27H44O4S.Na/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(14-11-20(23)3)31-32(28,29)30
Accurate Mass486.278
FormatNeat
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