3beta-Acetyloxy-5-Oxo-5,6-Secocholestan-6-Oic Acid
[CAS# 10473-42-4]

Identification

• Name: 3beta-Acetyloxy-5-Oxo-5,6-Secocholestan-6-Oic Acid
• Synonyms: 2-[5-(4-Acetoxy-1-Methyl-2-Oxo-Cyclohexyl)-1-(1,5-Dimethylhexyl)-7A-Methyl-1,2,3,3A,4,5,6,7-Octahydroinden-4-Yl]Acetic Acid; 2-[5-(4-Acetoxy-1-Methyl-2-Oxocyclohexyl)-1-(1,5-Dimethylhexyl)-7A-Methyl-1,2,3,3A,4,5,6,7-Octahydroinden-4-Yl]Acetic Acid; 2-[5-(4-Acetoxy-2-Keto-1-Methyl-Cyclohexyl)-1-(1,5-Dimethylhexyl)-7A-Methyl-1,2,3,3A,4,5,6,7-Octahydroinden-4-Yl]Acetic Acid
• Molecular Formula: C₂₉H₄₈O₅
• Molecular Weight: 476.70
• CAS Registry Number: 10473-42-4
• SMILES: C(C2C1C(C(CC1)C(CCCC(C)C)C)(CCC2C3(C(=O)CC(OC(=O)C)CC3)C)C)C(=O)O
• InChI: 1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)
• InChIKey: GFTWFYLFSOGAEP-UHFFFAOYSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 573.185°C at 760 mmHg (Cal.)
• Flash point: 176.588°C (Cal.)