(16alpha,17beta)-16-Ethyl-17-glycoloylestra-4,9-dien-3-one
[CAS# 72137-42-9]

Identification

• Name: (16alpha,17beta)-16-Ethyl-17-glycoloylestra-4,9-dien-3-one
• Synonyms: 16α-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.47
• CAS Registry Number: 72137-42-9
• EINECS: 276-357-3
• SMILES: OCC(=O)[C@H]3[C@H](CC)C[C@H]2[C@@H]4CCC1=CC(=O)CCC1=C4CC[C@@]23C
• InChI: 1S/C22H30O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,18-19,21,23H,3-9,11-12H2,1-2H3/t13-,18-,19+,21-,22+/m1/s1
• InChIKey: OYJXCIJVEVVVGE-PRXKQPRJSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 532.933°C at 760 mmHg (Cal.)
• Flash point: 290.18°C (Cal.)