1,25-Dihydroxy-16-ene-vitamin D3
[CAS# 124409-58-1]

Identification

• Name: 1,25-Dihydroxy-16-ene-vitamin D3
• Synonyms: (1R)-5-[(2E)-2-[(3As,7As)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-3A,5,6,7-Tetrahydro-3H-Inden-4-Ylidene]Ethyl]-6-Methylene-Cyclohex-3-Ene-1,3-Diol; (1R)-5-[(2E)-2-[(3As,7As)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-3A,5,6,7-Tetrahydro-3H-Inden-4-Ylidene]Ethyl]-6-Methylenecyclohex-3-Ene-1,3-Diol; (1R)-5-[(2E)-2-[(3As,7As)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-3A,5,6,7-Tetrahydro-3H-Inden-4-Ylidene]Ethyl]-6-Methylidene-Cyclohex-3-Ene-1,3-Diol
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.63
• CAS Registry Number: 124409-58-1
• SMILES: [C@]13([C@H](\C(CCC1)=C\CC2C([C@H](O)CC(=C2)O)=C)CC=C3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H42O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10,12,16,18,21,24-25,28-30H,2,6-9,11,13-15,17H2,1,3-5H3/b20-10+/t18-,21?,24+,25-,27-/m1/s1
• InChIKey: CZBGBNZNGSRTCH-XIJCJBARSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 566.294°C at 760 mmHg (Cal.)
• Flash point: 240.104°C (Cal.)