4-(Carboxymethylmercapto)Testosterone
[CAS# 70838-03-8]

Identification

• Name: 4-(Carboxymethylmercapto)Testosterone
• Synonyms: 2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(10R,13S,17S)-17-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Sulfanyl]Ethanoic Acid
• Molecular Formula: C₂₁H₃₀O₄S
• Molecular Weight: 378.53
• CAS Registry Number: 70838-03-8
• SMILES: [C@]34(C2C(C1[C@@]([C@@H](O)CC1)(CC2)C)CCC3=C(SCC(=O)O)C(=O)CC4)C
• InChI: 1S/C21H30O4S/c1-20-10-8-16(22)19(26-11-18(24)25)15(20)4-3-12-13-5-6-17(23)21(13,2)9-7-14(12)20/h12-14,17,23H,3-11H2,1-2H3,(H,24,25)/t12?,13?,14?,17-,20+,21-/m0/s1
• InChIKey: XJAHBTGAKFTOBY-YYDIIAORSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 573.051°C at 760 mmHg (Cal.)
• Flash point: 300.371°C (Cal.)