1,25-Dihydroxydihydrotachysterol (3)
[CAS# 65878-49-1]

Identification

• Name: 1,25-Dihydroxydihydrotachysterol (3)
• Synonyms: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-Cyclohexane-1,3-Diol; (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylcyclohexane-1,3-Diol; (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methyl-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 65878-49-1
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C2\[C@H]([C@@H](O)C[C@H](O)C2)C)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H46O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10+,21-11+/t18-,19-,22-,23-,24+,25+,27-/m1/s1
• InChIKey: RLYGWXCTVMOKAI-FUCSUXQYSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 557.749°C at 760 mmHg (Cal.)
• Flash point: 233.706°C (Cal.)