7alpha-Thiomethylspironolactone
[CAS# 38753-77-4]

Identification

• Name: 7alpha-Thiomethylspironolactone
• Synonyms: (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-Methylsulfanyl-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-(Methylthio)Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-(Methylthio)Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Quinone
• Molecular Formula: C₂₃H₃₂O₃S
• Molecular Weight: 388.56
• CAS Registry Number: 38753-77-4
• SMILES: [C@H]35[C@H]2[C@@]([C@@]1(OC(=O)CC1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)C[C@H]5SC)C)C
• InChI: 1S/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
• InChIKey: FWRDLPQBEOKIRE-RJKHXGPOSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 572.764°C at 760 mmHg (Cal.)
• Flash point: 288.919°C (Cal.)