6beta-Hydroxy-7alpha-(Thiomethyl) Spironolactone
[CAS# 42219-60-3]

Identification

• Name: 6beta-Hydroxy-7alpha-(Thiomethyl) Spironolactone
• Synonyms: (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-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; (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-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; (6S,7S,8R,10R,13S,14S,17R)-6-Hydroxy-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: C₂₃H₃₂O₄S
• Molecular Weight: 404.56
• CAS Registry Number: 42219-60-3
• SMILES: [C@H]35[C@H]2C([C@@]1(C(=CC(=O)CC1)[C@H](O)[C@H]2SC)C)CC[C@@]3([C@@]4(OC(=O)CC4)CC5)C
• InChI: 1S/C23H32O4S/c1-21-8-4-13(24)12-16(21)19(26)20(28-3)18-14(21)5-9-22(2)15(18)6-10-23(22)11-7-17(25)27-23/h12,14-15,18-20,26H,4-11H2,1-3H3/t14?,15-,18+,19-,20-,21+,22-,23+/m0/s1
• InChIKey: NWLBSWATTSRBOV-DSZVNDRJSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 616.48°C at 760 mmHg (Cal.)
• Flash point: 326.636°C (Cal.)