(6alpha,8xi,11beta,14xi,16alpha,17alpha)-17-{[(Bromomethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate
[CAS# 80474-27-7]

Identification

• Name: (6alpha,8xi,11beta,14xi,16alpha,17alpha)-17-{[(Bromomethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate
• Synonyms: (6α,8ξ,11β,14ξ,16α,17α)-17-{[(Brommethyl)sulfanyl]carbonyl}-6,9-difluor-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-ylpropionat; (6α,8ξ,11β,14ξ,16α,17α)-17-{[(Bromomethyl)sulfanyl]carbonyl}-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl propionate
• Molecular Formula: C₂₅H₃₁BrF₂O₅S
• Molecular Weight: 561.48
• CAS Registry Number: 80474-27-7
• SMILES: CCC(=O)O[C@@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3(C2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCBr
• InChI: 1S/C25H31BrF2O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15?,16?,18+,19+,22+,23+,24+,25+/m1/s1
• InChIKey: STSJMJBSSJPOIV-WYZONABHSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 592.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 312.1±30.1°C (Cal.)