Pregna-4,11-Diene-3,20-Dione
[CAS# 2625-60-7]

Identification

• Name: Pregna-4,11-Diene-3,20-Dione
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,9,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Nsc22020; Pregna-4,11-Diene-3,20-Dione
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 2625-60-7
• SMILES: [C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)C=C2)CCC4=CC(=O)CC[C@]34C
• InChI: 1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11-12,16-19H,4-8,10H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: XMUAORABVRJUDU-LEKSSAKUSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 451.452°C at 760 mmHg (Cal.)
• Flash point: 168.192°C (Cal.)