2-Oxa-3-deoxy-25-hydroxyvitamin D3
[CAS# 113490-39-4]

Identification

• Name: 2-Oxa-3-deoxy-25-hydroxyvitamin D3
• Synonyms: (6R)-6-[(1R,3As,4E,7Ar)-7A-Methyl-4-[(2Z)-2-(3-Methylenetetrahydropyran-4-Ylidene)Ethylidene]-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptan-2-Ol; (6R)-6-[(1R,3As,4E,7Ar)-7A-Methyl-4-[(2Z)-2-(3-Methylene-4-Tetrahydropyranylidene)Ethylidene]-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methylheptan-2-Ol; (6R)-6-[(1R,3As,4E,7Ar)-7A-Methyl-4-[(2Z)-2-(3-Methylideneoxan-4-Ylidene)Ethylidene]-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptan-2-Ol
• Molecular Formula: C₂₆H₄₂O₂
• Molecular Weight: 386.62
• CAS Registry Number: 113490-39-4
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(COCC2)=C)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C26H42O2/c1-19(8-6-15-25(3,4)27)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21-14-17-28-18-20(21)2/h10-11,19,23-24,27H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24+,26-/m1/s1
• InChIKey: CCFSYRQFWNVGDG-SDPFTLJPSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 502.602°C at 760 mmHg (Cal.)
• Flash point: 205.839°C (Cal.)