(10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl) Acetate
[CAS# 1164-91-6]

Identification

• Name: (10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl) Acetate
• Synonyms: Acetic Acid (10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl) Ester; Acetic Acid (3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl) Ester; (10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl) Ethanoate
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 1164-91-6
• SMILES: CC34C(C1C(C2(C(CC1)CC(=O)CC2)C)CC3)CCC4OC(=O)C
• InChI: 1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3
• InChIKey: ILCTUFVQFCIIDS-UHFFFAOYSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Melting point: 145-147°C (Expl.)
• Boiling point: 424.64°C at 760 mmHg (Cal.)
• Flash point: 182.816°C (Cal.)