19,25-Dihydroxy-6,19-Dihydro-6,19-Epoxyvitamin D3
[CAS# 96999-67-6]

Identification

• Name: 19,25-Dihydroxy-6,19-Dihydro-6,19-Epoxyvitamin D3
• Synonyms: (3S,5R)-3-[(E)-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Methyl]-1,3,4,5,6,7-Hexahydroisobenzofuran-1,5-Diol; (3S,5R)-3-[(E)-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 96999-67-6
• SMILES: [C@]14([C@H](\C(CCC1)=C\[C@@H]2OC(O)C3=C2C[C@H](O)CC3)CC[C@@H]4[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H44O4/c1-17(7-5-13-26(2,3)30)22-11-12-23-18(8-6-14-27(22,23)4)15-24-21-16-19(28)9-10-20(21)25(29)31-24/h15,17,19,22-25,28-30H,5-14,16H2,1-4H3/b18-15+/t17-,19-,22-,23+,24+,25?,27-/m1/s1
• InChIKey: WFZFISRRLUYGJF-AEUFDVQMSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 580.81°C at 760 mmHg (Cal.)
• Flash point: 305.063°C (Cal.)