Pregna-1,4-Diene-11-Ol-3,20-Dione
[CAS# 4224-37-7]

Identification

• Name: Pregna-1,4-Diene-11-Ol-3,20-Dione
• Synonyms: (8S,9S,10R,11S,13S,14S,17S)-17-Ethanoyl-11-Hydroxy-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Pregna-1,4-Diene-11-Ol-3,20-Dione; Pregna-1,4-Diene-3,20-Dione, 11-Hydroxy-, (11Beta)-
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 328.45
• CAS Registry Number: 4224-37-7
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC[C@@H]4C(=O)C)C
• InChI: 1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h8-10,15-19,24H,4-7,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
• InChIKey: XYVVSFGOAQGVRE-ATWVFEABSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 490.22°C at 760 mmHg (Cal.)
• Flash point: 264.377°C (Cal.)