22-Hydroxyvitamin D3
[CAS# 110927-46-3]

Identification

• Name: 22-Hydroxyvitamin D3
• Synonyms: (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1S,2S)-2-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexan-1-Ol; (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1S,2S)-2-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-1-Cyclohexanol; (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(2S,3S)-3-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 110927-46-3
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H]([C@@H](O)CCC(C)C)C)C
• InChI: 1S/C27H44O2/c1-18(2)8-15-26(29)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(28)12-9-19(22)3/h10-11,18,20,23-26,28-29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,27+/m0/s1
• InChIKey: OCHNORYGWPYCAK-BANFDOQOSA-N

Properties

• Density: 1.015g/cm³ (Cal.)
• Boiling point: 529.249°C at 760 mmHg (Cal.)
• Flash point: 221.434°C (Cal.)