(17B)-17-(Benzoyloxy)-Androsta-1,4-Dien-3-One
[CAS# 19041-66-8]

Identification

• Name: (17B)-17-(Benzoyloxy)-Androsta-1,4-Dien-3-One
• Synonyms: Benzoic Acid (10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl) Ester; Benzoic Acid (3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl) Ester; 3-Oxoandrosta-1,4-Dien-17-Yl Benzoate
• Molecular Formula: C₂₆H₃₀O₃
• Molecular Weight: 390.52
• CAS Registry Number: 19041-66-8
• EINECS: 242-774-4
• SMILES: C5=C(C(OC4C3(CCC2C1(C(=CC(=O)C=C1)CCC2C3CC4)C)C)=O)C=CC=C5
• InChI: 1S/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3
• InChIKey: QYOIZDDZJSQWGQ-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 524.453°C at 760 mmHg (Cal.)
• Flash point: 226.13°C (Cal.)