1-Hydroxypregnacalciferol
[CAS# 58702-12-8]

Identification

• Name: 1-Hydroxypregnacalciferol
• Synonyms: (5Z)-5-[(2Z)-2-(1-Ethyl-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene)Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (5Z)-5-[(2Z)-2-(1-Ethyl-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene)Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (5Z)-5-[(2Z)-2-(1-Ethyl-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene)Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 58702-12-8
• SMILES: C(C3C2(CCC/C(=C/C=C/1C(C(CC(C1)O)O)=C)C2CC3)C)C
• InChI: 1S/C21H32O2/c1-4-17-9-10-19-15(6-5-11-21(17,19)3)7-8-16-12-18(22)13-20(23)14(16)2/h7-8,17-20,22-23H,2,4-6,9-13H2,1,3H3/b15-7-,16-8-
• InChIKey: XMDLIEZJERQGEY-DUGOVBPYSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 470.324°C at 760 mmHg (Cal.)
• Flash point: 210.302°C (Cal.)