(1a,7a,17b)-1,7-Bis(acetylthio)-17-hydroxy-17-methyl-Androst-4-en-3-one
[CAS# 2205-73-4]

Identification

• Name: (1a,7a,17b)-1,7-Bis(acetylthio)-17-hydroxy-17-methyl-Androst-4-en-3-one
• Synonyms: Ethanethioic Acid S-[[(1S,7R,8S,9S,10R,13S,14S,17S)-1-(Acetylthio)-17-Hydroxy-10,13,17-Trimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]] Ester; Ethanethioic Acid S-[[(1S,7R,8S,9S,10R,13S,14S,17S)-1-(Acetylthio)-17-Hydroxy-3-Keto-10,13,17-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]] Ester; S-[[(1S,7R,8S,9S,10R,13S,14S,17S)-1-Ethanoylsulfanyl-17-Hydroxy-10,13,17-Trimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]] Ethanethioate
• Molecular Formula: C₂₄H₃₄O₄S₂
• Molecular Weight: 450.65
• CAS Registry Number: 2205-73-4
• EINECS: 218-614-4
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C[C@@H]1SC(C)=O)C[C@H]2SC(C)=O)C)CC[C@]4([C@H]3CC[C@]4(C)O)C
• InChI: 1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1
• InChIKey: YUOZKOLALXNELS-SQVYRKCQSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 588.088°C at 760 mmHg (Cal.)
• Flash point: 309.465°C (Cal.)