25-Hydroxyvitamin D3 3-Sulfate Ester
[CAS# 99447-30-0]

Identification

• Name: 25-Hydroxyvitamin D3 3-Sulfate Ester
• Synonyms: [(1S,3Z)-3-[(2Z)-2-[(1R,3As,7As)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-5-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] Hydrogen Sulfate; [(1S,3Z)-3-[(2Z)-2-[(1R,3As,7As)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl
• Molecular Formula: C₂₇H₄₄O₅S
• Molecular Weight: 480.70
• CAS Registry Number: 99447-30-0
• SMILES: [C@]12([C@H](CC[C@H]1C\C(CC2)=C/C=C/3C(CC[C@H](O[S](=O)(=O)O)C3)=C)[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H44O5S/c1-19-8-12-24(32-33(29,30)31)18-22(19)10-9-21-14-16-27(5)23(17-21)11-13-25(27)20(2)7-6-15-26(3,4)28/h9-10,20,23-25,28H,1,6-8,11-18H2,2-5H3,(H,29,30,31)/b21-9-,22-10-/t20-,23+,24+,25-,27+/m1/s1
• InChIKey: UDUUTSLXXOJCED-QERGGUDLSA-N

Properties

• Density: 1.147g/cm³ (Cal.)