17-Acetyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 1096-39-5]

Identification

• Name: 17-Acetyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: 17-Ethanoyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Nciopen2_007188; 5.Beta.-Pregn-11-Ene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 1096-39-5
• SMILES: CC34C2C(C1C(C(C(C)=O)CC1)(C)C=C2)CCC3CC(=O)CC4
• InChI: 1S/C21H30O2/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/h9,11,14,16-19H,4-8,10,12H2,1-3H3
• InChIKey: ZQTJQOPWOKKYDC-UHFFFAOYSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 428.566°C at 760 mmHg (Cal.)
• Flash point: 160.111°C (Cal.)