22-Dehydro-1,25-Dihydroxy-24-Homovitamin D3
[CAS# 103732-08-7]

Identification

• Name: 22-Dehydro-1,25-Dihydroxy-24-Homovitamin D3
• Synonyms: (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R)-5-Hydroxy-1,5-Dimethyl-Hept-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R)-5-Hydroxy-1,5-Dimethylhept-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,2R)-6-Hydroxy-6-Methyl-Oct-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₄O₃
• Molecular Weight: 428.65
• CAS Registry Number: 103732-08-7
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CC[C@@H]3[C@@H](\C=C\CC(O)(CC)C)C)C
• InChI: 1S/C28H44O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h7,9,11-12,19,23-26,29-31H,3,6,8,10,13-18H2,1-2,4-5H3/b9-7+,21-11+,22-12-/t19-,23+,24-,25+,26-,27?,28-/m1/s1
• InChIKey: RQYBOLUOBVMUJB-KHBWZAROSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 581.834°C at 760 mmHg (Cal.)
• Flash point: 244.619°C (Cal.)