alpha-Homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-hydroxyvitamin D3
[CAS# 135821-90-8]

Identification

• Name: alpha-Homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-hydroxyvitamin D3
• Synonyms: 6-[(1R,3Ar,4E,7Ar)-4-[(2E)-2-(2,2-Dimethyl-6-Methylene-1,3-Dioxepan-5-Ylidene)Ethylidene]-1,7A-Dimethyl-2,3,3A,5,6,7-Hexahydroinden-1-Yl]-2-Methyl-Hexan-2-Ol; 6-[(1R,3Ar,4E,7Ar)-4-[(2E)-2-(2,2-Dimethyl-6-Methylene-1,3-Dioxepan-5-Ylidene)Ethylidene]-1,7A-Dimethyl-2,3,3A,5,6,7-Hexahydroinden-1-Yl]-2-Methylhexan-2-Ol; 6-[(1R,3Ar,4E,7Ar)-4-[(2E)-2-(2,2-Dimethyl-6-Methylidene-1,3-Dioxepan-5-Ylidene)Ethylidene]-1,7A-Dimethyl-2,3,3A,5,6,7-Hexahydroinden-1-Yl]-2-Methyl-Hexan-2-Ol
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 135821-90-8
• SMILES: [C@@]13([C@@H](\C(CCC1)=C\C=C\2C(COC(OC2)(C)C)=C)CC[C@]3(CCCCC(O)(C)C)C)C
• InChI: 1S/C28H46O3/c1-21-19-30-26(4,5)31-20-23(21)13-12-22-11-10-17-28(7)24(22)14-18-27(28,6)16-9-8-15-25(2,3)29/h12-13,24,29H,1,8-11,14-20H2,2-7H3/b22-12+,23-13-/t24-,27-,28-/m1/s1
• InChIKey: OGBOEJJEWXJYPB-OWFFPJJDSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 522.213°C at 760 mmHg (Cal.)
• Flash point: 256.646°C (Cal.)