Vitamin D3 Sulfoconjugate
[CAS# 10529-43-8]

Identification

• Name: Vitamin D3 Sulfoconjugate
• Synonyms: [(1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] Hydrogen Sulfate; [(1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexyl] Hydrogen Sulfate; [(1R,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-Methylidene-Cyclohexyl] Hydrogen Sulfate
• Molecular Formula: C₂₇H₄₄O₄S
• Molecular Weight: 464.70
• CAS Registry Number: 10529-43-8
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O[S](=O)(=O)O)C2)=C)CC[C@@H]3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H44O4S/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/h12-13,19,21,24-26H,3,6-11,14-18H2,1-2,4-5H3,(H,28,29,30)/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1
• InChIKey: CAVKNZYPPDUUIT-YHJXBONMSA-N

Properties

• Density: 1.101g/cm³ (Cal.)