Pregn-11-Ene-3,20-Dione
[CAS# 26423-79-0]

Identification

• Name: Pregn-11-Ene-3,20-Dione
• Synonyms: (8S,9S,10S,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Brn 2296564; Pregn-11-Ene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 26423-79-0
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](C=C1)(C)[C@H](CC2)C(C)=O)CCC3CC(CC4)=O
• InChI: 1S/C21H30O2/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/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14?,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: ZQTJQOPWOKKYDC-CVHNGYJVSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 428.566°C at 760 mmHg (Cal.)
• Flash point: 160.111°C (Cal.)