23-Dehydro-25-Hydroxyvitamin D3
[CAS# 80463-19-0]

Identification

• Name: 23-Dehydro-25-Hydroxyvitamin D3
• Synonyms: (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R)-5-Hydroxy-1,5-Dimethyl-Hex-3-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-[(E,1R)-5-Hydroxy-1,5-Dimethylhex-3-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)-1-[(E,2R)-6-Hydroxy-6-Methyl-Hept-4-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₂O₂
• Molecular Weight: 398.63
• CAS Registry Number: 80463-19-0
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H](C\C=C\C(O)(C)C)C)C
• InChI: 1S/C27H42O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h6,11-12,16,20,23-25,28-29H,1,7-10,13-15,17-18H2,2-5H3/b16-6+,21-11+,22-12-/t20-,23-,24-,25+,27-/m1/s1
• InChIKey: WNZXIAXNWJEHST-LQQNSIDWSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 532.169°C at 760 mmHg (Cal.)
• Flash point: 223.972°C (Cal.)