24-Dehydroprevitamin D3
[CAS# 70574-97-9]

Identification

• Name: 24-Dehydroprevitamin D3
• Synonyms: (1R)-3-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-1,5-Dimethylhex-4-Enyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-Cyclohex-3-En-1-Ol; (1R)-3-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-1,5-Dimethylhex-4-Enyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-1-Cyclohex-3-Enol; (1R)-3-[(Z)-2-[(1R,3Ar,7Ar)-7A-Methyl-1-[(2R)-6-Methylhept-5-En-2-Yl]-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methyl-Cyclohex-3-En-1-Ol
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 70574-97-9
• SMILES: [C@]12([C@@H]([C@@H](CCC=C(C)C)C)CC[C@H]1C(=CCC2)\C=C/C3=C(CC[C@@H](O)C3)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/h8,10,12-13,21,24-26,28H,6-7,9,11,14-18H2,1-5H3/b13-12-/t21-,24-,25-,26+,27-/m1/s1
• InChIKey: NBMBTEIQSCVAHQ-UMHODALSSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 498.732°C at 760 mmHg (Cal.)
• Flash point: 214.137°C (Cal.)