1,25-Dihydroxy-Previtamin D(3)
[CAS# 57102-09-7]

Identification

• Name: 1,25-Dihydroxy-Previtamin D(3)
• Synonyms: (1S,3R)-5-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methyl-Cyclohex-4-Ene-1,3-Diol; (1S,3R)-5-[(Z)-2-[(1R,3Ar,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Vinyl]-4-Methylcyclohex-4-Ene-1,3-Diol; (1S,3R)-5-[(Z)-2-[(1R,3Ar,7Ar)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-1,2,3,3A,6,7-Hexahydroinden-4-Yl]Ethenyl]-4-Methyl-Cyclohex-4-Ene-1,3-Diol
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 57102-09-7
• SMILES: [C@]13([C@H](C(=CCC1)\C=C/C2=C([C@H](O)C[C@@H](O)C2)C)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C27H44O3/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/h9-11,18,22-25,28-30H,6-8,12-17H2,1-5H3/b11-10-/t18-,22+,23-,24+,25-,27-/m1/s1
• InChIKey: DOIZGAFWGREMOD-BJGFKTPISA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 564.522°C at 760 mmHg (Cal.)
• Flash point: 238.181°C (Cal.)