6-Chloro-9beta,10alpha-Pregna-4,6-Diene-3,20-Dione
[CAS# 4202-98-6]

Identification

• Name: 6-Chloro-9beta,10alpha-Pregna-4,6-Diene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17S)-6-Chloro-17-Ethanoyl-10,13-Dimethyl-1,2,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; 6-Chloro-9Beta,10Alpha-Pregna-4,6-Diene-3,20-Dione
• Molecular Formula: C₂₁H₂₇ClO₂
• Molecular Weight: 346.90
• CAS Registry Number: 4202-98-6
• EINECS: 224-113-1
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C(=C4)Cl)C)C
• InChI: 1S/C21H27ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10-11,14-17H,4-9H2,1-3H3/t14-,15+,16-,17-,20+,21+/m0/s1
• InChIKey: HSPLPABFDZTFJB-HGUQNLGYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 471.03°C at 760 mmHg (Cal.)
• Flash point: 197.978°C (Cal.)