16-alpha-Chloro-20-Oxopregn-5-En-3-beta-Yl Acetate
[CAS# 50678-52-9]

Identification

• Name: 16-alpha-Chloro-20-Oxopregn-5-En-3-beta-Yl Acetate
• Synonyms: Acetic Acid [(3S,10R,13S,16R,17S)-17-Acetyl-16-Chloro-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,10R,13S,16R,17S)-16-Chloro-17-Ethanoyl-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₃ClO₃
• Molecular Weight: 392.96
• CAS Registry Number: 50678-52-9
• EINECS: 256-708-7
• SMILES: [C@]34(C(C1C([C@@]2(C(=CC1)C[C@@H](OC(=O)C)CC2)C)CC3)C[C@@H](Cl)[C@@H]4C(=O)C)C
• InChI: 1S/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3/t16-,17?,18?,19?,20+,21-,22-,23-/m0/s1
• InChIKey: VEIABLNKNSOQQY-XAVZRLFQSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 487.054°C at 760 mmHg (Cal.)
• Flash point: 158.823°C (Cal.)