Androsta-4,16-Diene-3,6-Dione
[CAS# 114611-55-1]

Identification

• Name: Androsta-4,16-Diene-3,6-Dione
• Synonyms: (8S,9S,10R,13R,14S)-10,13-Dimethyl-2,7,8,9,11,12,14,15-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,6-Quinone; Androsta-4,16-Diene-3,6-Dione
• Molecular Formula: C₁₉H₂₄O₂
• Molecular Weight: 284.40
• CAS Registry Number: 114611-55-1
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)C(=O)C2)C)CC[C@]4([C@H]3CC=C4)C
• InChI: 1S/C19H24O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h3,7,10,13-15H,4-6,8-9,11H2,1-2H3/t13-,14-,15-,18-,19+/m0/s1
• InChIKey: GOJSMZGIOCBZMX-UNTXSKPGSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 417.813°C at 760 mmHg (Cal.)
• Flash point: 156.268°C (Cal.)