6beta-Chloro-9beta,10alpha-Pregn-4-Ene-3,20-Dione
[CAS# 4594-30-3]

Identification

• Name: 6beta-Chloro-9beta,10alpha-Pregn-4-Ene-3,20-Dione
• Synonyms: (6R,8S,9R,10S,13S,14S,17S)-6-Chloro-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 6Beta-Chloro-9Beta,10Alpha-Pregn-4-Ene-3,20-Dione
• Molecular Formula: C₂₁H₂₉ClO₂
• Molecular Weight: 348.91
• CAS Registry Number: 4594-30-3
• EINECS: 224-989-5
• SMILES: [C@@]12(C(=CC(=O)CC1)[C@@H](C[C@@H]3[C@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)C)C)Cl)C
• InChI: 1S/C21H29ClO2/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/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17+,19+,20+,21-/m0/s1
• InChIKey: ICTXWOSKTZKFBH-XHOBZQISSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 478.153°C at 760 mmHg (Cal.)
• Flash point: 200.798°C (Cal.)