10-Hydroperoxy-Estr-4-ene-3,17-dione
[CAS# 2135-57-1]

Identification

• Name: 10-Hydroperoxy-Estr-4-ene-3,17-dione
• Synonyms: (8S,9S,13S,14S)-10-Hydroperoxy-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 10-Hydroperoxy-4-Estrene-3,17-Dione; 10Beta-Hydroperoxy-4-Estrene-3,17-Dione
• Molecular Formula: C₁₈H₂₄O₄
• Molecular Weight: 304.39
• CAS Registry Number: 2135-57-1
• SMILES: [C@@H]23CCC1=CC(CCC1([C@H]2CC[C@]4([C@H]3CCC4=O)C)OO)=O
• InChI: 1S/C18H24O4/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)22-21/h10,13-15,21H,2-9H2,1H3/t13-,14-,15-,17-,18?/m0/s1
• InChIKey: MUNAAPIKEXKOFD-FVJHYMBVSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 502.151°C at 760 mmHg (Cal.)
• Flash point: 183.221°C (Cal.)