(8R,9S,10R,13S,14S)-10,13-Dimethyl-4-Phenylsulfanyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 164080-14-2]

Identification

• Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-4-Phenylsulfanyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8R,9S,10R,13S,14S)-10,13-Dimethyl-4-(Phenylthio)-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Dione; (8R,9S,10R,13S,14S)-10,13-Dimethyl-4-(Phenylthio)-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 4,6-Ptadd
• Molecular Formula: C₂₅H₂₈O₂S
• Molecular Weight: 392.56
• CAS Registry Number: 164080-14-2
• SMILES: [C@H]34[C@@H]([C@@]2(C(=C(SC1=CC=CC=C1)C(=O)C=C2)CC3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C25H28O2S/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-7,13,15,17-19H,8-12,14H2,1-2H3/t17-,18-,19-,24+,25-/m0/s1
• InChIKey: MMYLCMINTKNPSR-BKCLIDBKSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 561.981°C at 760 mmHg (Cal.)
• Flash point: 233.761°C (Cal.)