(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 1162-54-5]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Nsc 63538; Pregna-1,4-Diene-3,20-Dione (8Ci)(9Ci)
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 1162-54-5
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)C=C3)CC4)C)C
• InChI: 1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: QIEPWCSVQYUPIY-LEKSSAKUSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 449.243°C at 760 mmHg (Cal.)
• Flash point: 167.417°C (Cal.)