(7R,8R,9S,10R,13S,14S)-7-(4-Aminophenyl)Sulfanyl-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 110325-37-6]

Identification

• Name: (7R,8R,9S,10R,13S,14S)-7-(4-Aminophenyl)Sulfanyl-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (7R,8R,9S,10R,13S,14S)-7-[(4-Aminophenyl)Thio]-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Dione; (7R,8R,9S,10R,13S,14S)-7-[(4-Aminophenyl)Thio]-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 7-((4'-Aminophenyl)Thio)-1,4-Androstadiene-3,17-Dione
• Molecular Formula: C₂₅H₂₉NO₂S
• Molecular Weight: 407.57
• CAS Registry Number: 110325-37-6
• SMILES: [C@H]24[C@@H]([C@@]1(C(=CC(=O)C=C1)C[C@H]2SC3=CC=C(N)C=C3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C25H29NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,9,11,13,19-21,23H,7-8,10,12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1
• InChIKey: LJFZXLQZUJKMRI-RGJWXQDMSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 613.877°C at 760 mmHg (Cal.)
• Flash point: 325.062°C (Cal.)