3,17-Dioxo(19,19-²H₂)androst-4-en-19-yl 4-methylbenzenesulfonate
[CAS# 71995-65-8]

Identification

• Name: 3,17-Dioxo(19,19-²H₂)androst-4-en-19-yl 4-methylbenzenesulfonate
• Synonyms: 3,17-Dioxo(19,19-²H₂)androst-4-en-19-yl 4-methylbenzenesulfonate; 3,17-Dioxo(19,19-²H₂)androst-4-en-19-yl-4-methylbenzolsulfonat; 4-Méthylbenzènesulfonate de 3,17-dioxo(19,19-²H₂)androst-4-én-19-yle
• Molecular Formula: C₂₆H₃₀D₂O₅S
• Molecular Weight: 458.61
• CAS Registry Number: 71995-65-8
• SMILES: [2H]C([2H])(C12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C)OS(=O)(=O)c5ccc(cc5)C
• InChI: 1S/C26H32O5S/c1-17-3-6-20(7-4-17)32(29,30)31-16-26-14-11-19(27)15-18(26)5-8-21-22-9-10-24(28)25(22,2)13-12-23(21)26/h3-4,6-7,15,21-23H,5,8-14,16H2,1-2H3/i16D2
• InChIKey: JSEONXJKSHDLSE-BPPAMHLBSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 628.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 334.0±31.5°C (Cal.)