Dichlorisone Acetate
[CAS# 79-61-8]

Identification

• Name: Dichlorisone Acetate
• Synonyms: [2-[(9R,17R)-9,11-Dichloro-17-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(9R,17R)-9,11-Dichloro-17-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(9R,17R)-9,11-Dichloro-17-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₈Cl₂O₅
• Molecular Weight: 455.38
• CAS Registry Number: 79-61-8
• EINECS: 201-213-3
• SMILES: [C@@]23(Cl)C(C1C([C@](O)(CC1)C(=O)COC(=O)C)(CC2Cl)C)CCC4=CC(=O)C=CC34C
• InChI: 1S/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3/t16?,17?,18?,20?,21?,22-,23-/m0/s1
• InChIKey: YNNURTVKPVJVEI-KTPJVQSHSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 596.203°C at 760 mmHg (Cal.)
• Flash point: 314.372°C (Cal.)