(8S,13S,14S)-13-Methyl-10-(2-Methylsulfanylethyl)-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 137437-16-2]

Identification

• Name: (8S,13S,14S)-13-Methyl-10-(2-Methylsulfanylethyl)-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8S,13S,14S)-13-Methyl-10-[2-(Methylthio)Ethyl]-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Dione; (8S,13S,14S)-13-Methyl-10-[2-(Methylthio)Ethyl]-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; Ru 54115
• Molecular Formula: C₂₁H₂₈O₂S
• Molecular Weight: 344.51
• CAS Registry Number: 137437-16-2
• SMILES: [C@H]12[C@H]4C(=CC[C@@]1(C(=O)CC2)C)C3(C(=CC(=O)CC3)CC4)CCSC
• InChI: 1S/C21H28O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16-,17-,20-,21?/m0/s1
• InChIKey: JKOMPAPOBLVXKS-SLTGRBBCSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 517.528°C at 760 mmHg (Cal.)
• Flash point: 217.807°C (Cal.)