(4-Chloro-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl) Acetate
[CAS# 1164-99-4]

Identification

• Name: (4-Chloro-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl) Acetate
• Synonyms: Acetic Acid (4-Chloro-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ester; Acetic Acid (4-Chloro-3-Keto-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ester; (4-Chloro-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ethanoate
• Molecular Formula: C₂₀H₂₇ClO₃
• Molecular Weight: 350.88
• CAS Registry Number: 1164-99-4
• EINECS: 214-613-8
• SMILES: CC34C(C2C(C1C(=C(Cl)C(=O)CC1)CC2)CC3)CCC4OC(=O)C
• InChI: 1S/C20H27ClO3/c1-11(22)24-18-8-6-16-14-3-4-15-12(5-7-17(23)19(15)21)13(14)9-10-20(16,18)2/h12-14,16,18H,3-10H2,1-2H3
• InChIKey: FNMAFGQVNCRKGS-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 456.571°C at 760 mmHg (Cal.)
• Flash point: 161.249°C (Cal.)