1,25-Dihydroxy-21-Nor-20-Oxavitamin D3
[CAS# 106315-28-0]

Identification

• Name: 1,25-Dihydroxy-21-Nor-20-Oxavitamin D3
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(3As,7As)-1-(4-Hydroxy-4-Methyl-Pentoxy)-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,7As)-1-(4-Hydroxy-4-Methylpentoxy)-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,7As)-1-(4-Hydroxy-4-Methyl-Pentoxy)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₅H₄₀O₄
• Molecular Weight: 404.59
• CAS Registry Number: 106315-28-0
• SMILES: [C@H]1\2[C@@](C(OCCCC(O)(C)C)CC1)(CCCC2=C\C=C/3C([C@@H](O)C[C@H](O)C3)=C)C
• InChI: 1S/C25H40O4/c1-17-19(15-20(26)16-22(17)27)9-8-18-7-5-13-25(4)21(18)10-11-23(25)29-14-6-12-24(2,3)28/h8-9,20-23,26-28H,1,5-7,10-16H2,2-4H3/b18-8+,19-9+/t20-,21+,22+,23?,25+/m1/s1
• InChIKey: AOMQZQQKWZZTNV-OZSNVUJZSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 566.965°C at 760 mmHg (Cal.)
• Flash point: 296.69°C (Cal.)