24-Dehydrocholecalciferol
[CAS# 63819-59-0]

Identification

• Name: 24-Dehydrocholecalciferol
• Synonyms: (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhex-4-Enyl]-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-[(1R)-1,5-Dimethylhex-4-Enyl]-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)-7A-Methyl-1-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 63819-59-0
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCC=C(C)C)C)C
• InChI: 1S/C27H42O/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(28)14-11-20(23)3/h8,12-13,21,24-26,28H,3,6-7,9-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1
• InChIKey: DCROKXXPZPPINM-YHJXBONMSA-N

Properties

• Density: 0.982g/cm³ (Cal.)
• Boiling point: 499.193°C at 760 mmHg (Cal.)
• Flash point: 214.27°C (Cal.)