25-Hydroxy-6,19-Dihydro-6,19-Ethanovitamin D3
[CAS# 96616-70-5]

Identification

• Name: 25-Hydroxy-6,19-Dihydro-6,19-Ethanovitamin D3
• Synonyms: 1-[(Z)-[1-(5-Hydroxy-1,5-Dimethyl-Hexyl)-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-5-Ylidene]Methyl]-1,2,3,4,5,6,7,8-Octahydronaphthalen-2-Ol; 1-[(Z)-[1-(5-Hydroxy-1,5-Dimethylhexyl)-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-5-Ylidene]Methyl]-1,2,3,4,5,6,7
• Molecular Formula: C₂₉H₄₈O₂
• Molecular Weight: 428.70
• CAS Registry Number: 96616-70-5
• SMILES: C(C(C4C1(C(C\C(CC1)=C/C2C3=C(CCC2O)CCCC3)CC4)C)C)CCC(O)(C)C
• InChI: 1S/C29H48O2/c1-20(8-7-16-28(2,3)31)26-13-12-23-18-21(15-17-29(23,26)4)19-25-24-10-6-5-9-22(24)11-14-27(25)30/h19-20,23,25-27,30-31H,5-18H2,1-4H3/b21-19-
• InChIKey: DNZRLVGXSVDBPZ-VZCXRCSSSA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 536.344°C at 760 mmHg (Cal.)
• Flash point: 219.977°C (Cal.)