25-Hydroxyvitamin D3 26,23-Peroxylactone
[CAS# 84070-69-9]

Identification

• Name: 25-Hydroxyvitamin D3 26,23-Peroxylactone
• Synonyms: 4-Hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-Hydroxy-2-Methylene-Cyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-4-Methyl-Dioxan-3-One; 4-Hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-Hydroxy-2-Methylenecyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-4-Methyl-3-Dioxanone; 4-Hydroxy-6-[2-[(4E)-4-[(2Z)-2-(5-Hydroxy-2-Methylidene-Cyclohexylidene)Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]Propyl]-4-Methyl-1,2-Dioxan-3-One
• Molecular Formula: C₂₇H₄₀O₅
• Molecular Weight: 444.61
• CAS Registry Number: 84070-69-9
• SMILES: C(C(C3C1(C(C(/CCC1)=C/C=C/2C(CCC(O)C2)=C)CC3)C)C)C4OOC(=O)C(O)(C4)C
• InChI: 1S/C27H40O5/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)32-31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-
• InChIKey: DBDDUVJJIVBQPI-WWBRWCDLSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 568.847°C at 760 mmHg (Cal.)
• Flash point: 182.979°C (Cal.)