1-Hydroxymethyl-3-Norhydroxy-3,25-Dihydroxyvitamin D3
[CAS# 142508-68-7]

Identification

• Name: 1-Hydroxymethyl-3-Norhydroxy-3,25-Dihydroxyvitamin D3
• Synonyms: (1R,3Z,5R)-3-[(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]-5-(Hydroxymethyl)-4-Methylene-Cyclohexan-1-Ol; (1R,3Z,5R)-3-[(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]-5-(Hydroxymethyl)-4-Methylene-1-Cyclohexanol; (1R,3Z,5R)-3-[(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-Methylene-5-Methylol-Cyclohexan-1-Ol
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 142508-68-7
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@@H](C[C@@H](O)C2)CO)=C)CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C
• InChI: 1S/C28H46O3/c1-19(8-6-14-27(3,4)31)25-12-13-26-21(9-7-15-28(25,26)5)10-11-22-16-24(30)17-23(18-29)20(22)2/h10-11,19,23-26,29-31H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23+,24+,25-,26+,28-/m1/s1
• InChIKey: PHNIFGLIGXOIQV-YOQPZTCMSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 575.017°C at 760 mmHg (Cal.)
• Flash point: 240.156°C (Cal.)