17(S)-Tipredane
[CAS# 85197-76-8]

Identification

• Name: 17(S)-Tipredane
• Synonyms: (8S,10S,11S,13S,14S,17R)-17-(Ethylthio)-9-Fluoro-11-Hydroxy-10,13-Dimethyl-17-(Methylthio)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (11-Beta,17-Beta)-17-(Ethylthio)-9-Fluoro-11-Hydroxy-17-(Methylthio)Androsta-1,4-Dien-3-One; 17(S)-Tipredane
• Molecular Formula: C₂₂H₃₁FO₂S₂
• Molecular Weight: 410.60
• CAS Registry Number: 85197-76-8
• SMILES: [C@H]24[C@H]1[C@@]([C@@](SCC)(SC)CC1)(C[C@H](O)C2(F)[C@@]3(C(=CC(=O)C=C3)CC4)C)C
• InChI: 1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16-,17-,18-,19-,20-,21+,22?/m0/s1
• InChIKey: DXEXNWDGDYUITL-IBOYTWHMSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 544.963°C at 760 mmHg (Cal.)
• Flash point: 283.384°C (Cal.)