3beta-Acetoxy-5alpha-Cholestan-6-One
[CAS# 1256-83-3]

Identification

• Name: 3beta-Acetoxy-5alpha-Cholestan-6-One
• Synonyms: [(3S,5S)-17-(1,5-Dimethylhexyl)-10,13-Dimethyl-6-Oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,5S)-17-(1,5-Dimethylhexyl)-10,13-Dimethyl-6-Oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S)-17-(1,5-Dimethylhexyl)-6-Keto-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₉H₄₈O₃
• Molecular Weight: 444.70
• CAS Registry Number: 1256-83-3
• SMILES: [C@H]34C(C2C(C1C(C(CC1)C(CCCC(C)C)C)(CC2)C)CC3=O)(CC[C@H](OC(=O)C)C4)C
• InChI: 1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19?,21-,22?,23?,24?,25?,26+,28?,29?/m0/s1
• InChIKey: QGGRDHGCNNAWIE-KUGUQYSOSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 513.945°C at 760 mmHg (Cal.)
• Flash point: 214.61°C (Cal.)