(8S,9S,10R,13S,14S,16R,17S)-17-Acetyl-10,13-Dimethyl-16-Methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 3136-93-4]

Identification

• Name: (8S,9S,10R,13S,14S,16R,17S)-17-Acetyl-10,13-Dimethyl-16-Methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13S,14S,16R,17S)-17-Acetyl-10,13-Dimethyl-16-(Methylthio)-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,16R,17S)-17-Ethanoyl-10,13-Dimethyl-16-Methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 16.Alpha.-(Methylthio)Progesterone
• Molecular Formula: C₂₂H₃₂O₂S
• Molecular Weight: 360.55
• CAS Registry Number: 3136-93-4
• SMILES: [C@H]12[C@@]([C@@H](C(C)=O)[C@@H](C1)SC)(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C22H32O2S/c1-13(23)20-19(25-4)12-18-16-6-5-14-11-15(24)7-9-21(14,2)17(16)8-10-22(18,20)3/h11,16-20H,5-10,12H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+/m1/s1
• InChIKey: MTOGCFGVYHTEAT-QQYXXPEKSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 500.376°C at 760 mmHg (Cal.)
• Flash point: 204.672°C (Cal.)