(17beta)-3-Oxoestr-4-En-17-Yl 3-Phenylpropanoate
[CAS# 104625-48-1]

Identification

• Name: (17beta)-3-Oxoestr-4-En-17-Yl 3-Phenylpropanoate
• Synonyms: 17- (1-oxo-3-phenylpropoxy)estr-4-en-3-one; 17b-hydroxyestr-4-en-3-one 17-(3-phenylpropionate)
• Molecular Formula: C₂₇H₃₄O₃
• Molecular Weight: 406.56
• CAS Registry Number: 104625-48-1
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35
• InChI: 1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1
• InChIKey: UBWXUGDQUBIEIZ-QNTYDACNSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 546.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 234.6±30.2°C (Cal.)
• Refractive index: 1.577 (Cal.)

References

• (1): Elisa Cimetta, Dario Sirabella, Keith Yeager, Kathryn Davidson, Joseph Simon, Randall T. Moon and Gordana Vunjak-Novakovic. Microfluidic bioreactor for dynamic regulation of early mesodermal commitment in human pluripotent stem cells, Lab Chip, 2013, 13, 355.