3,19-Dioxoandrost-4-en-17-yl benzoate
[CAS# 986-02-7]

Identification

• Name: 3,19-Dioxoandrost-4-en-17-yl benzoate
• Synonyms: 10-formyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate
• Molecular Formula: C₂₆H₃₀O₄
• Molecular Weight: 406.51
• CAS Registry Number: 986-02-7
• SMILES: O=CC51/C(=C\C(=O)CC1)CCC4C5CCC3(C4CCC3OC(=O)c2ccccc2)C
• InChI: 1S/C26H30O4/c1-25-13-12-22-20(8-7-18-15-19(28)11-14-26(18,22)16-27)21(25)9-10-23(25)30-24(29)17-5-3-2-4-6-17/h2-6,15-16,20-23H,7-14H2,1H3
• InChIKey: FIWQIMWULLZMPF-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 555.519°C at 760 mmHg (Cal.)
• Flash point: 239.547°C (Cal.)