1,25-Dihydroxy-24-trihomo-22-ene-vitamin D3
[CAS# 123963-52-0]

Identification

• Name: 1,25-Dihydroxy-24-trihomo-22-ene-vitamin D3
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-[(E)-8-Hydroxy-1,8-Dimethyl-Non-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-[(E)-8-Hydroxy-1,8-Dimethylnon-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-[(E)-9-Hydroxy-9-Methyl-Dec-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: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 123963-52-0
• SMILES: [C@@H]1(C[C@@H](C(C(/C1)=C/C=C3/[C@@H]2CCC([C@]2(CCC3)C)C(\C=C\CCCCC(C)(C)O)C)=C)O)O
• InChI: 1S/C30H48O3/c1-21(11-8-6-7-9-17-29(3,4)33)26-15-16-27-23(12-10-18-30(26,27)5)13-14-24-19-25(31)20-28(32)22(24)2/h8,11,13-14,21,25-28,31-33H,2,6-7,9-10,12,15-20H2,1,3-5H3/b11-8+,23-13+,24-14+/t21?,25-,26?,27+,28+,30-/m1/s1
• InChIKey: RZLPEKINOHYZDW-GWXRBXGESA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 596.606°C at 760 mmHg (Cal.)
• Flash point: 245.331°C (Cal.)