22,25-Dihydroxyvitamin D3
[CAS# 81446-12-0]

Identification

• Name: 22,25-Dihydroxyvitamin D3
• Synonyms: (6S)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptane-2,5-Diol; (6S)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methylheptane-2,5-Diol; (6S)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptane-2,5-Diol
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 81446-12-0
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H](C(O)CCC(O)(C)C)C)C
• InChI: 1S/C27H44O3/c1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-27(5)23(12-13-24(20)27)19(2)25(29)14-16-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23+,24-,25?,27+/m0/s1
• InChIKey: CJLCEMXSNQNVPU-LSODONFWSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 562.193°C at 760 mmHg (Cal.)
• Flash point: 236.995°C (Cal.)