[(5S,9S,14S,17S)-2,10,13-Trimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 1242-56-4]

Identification

• Name: [(5S,9S,14S,17S)-2,10,13-Trimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(5S,9S,14S,17S)-2,10,13-Trimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(5S,9S,14S,17S)-3-Keto-2,10,13-Trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(5S,9S,14S,17S)-2,10,13-Trimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 1242-56-4
• SMILES: [C@H]12C([C@@H](OC(=O)C)CC1)(CC[C@H]3C2CC[C@@H]4C3(C=C(C(=O)C4)C)C)C
• InChI: 1S/C22H32O3/c1-13-12-22(4)15(11-19(13)24)5-6-16-17-7-8-20(25-14(2)23)21(17,3)10-9-18(16)22/h12,15-18,20H,5-11H2,1-4H3/t15-,16?,17-,18-,20-,21?,22?/m0/s1
• InChIKey: FYTLCZSXKONUTF-CSHIUTBKSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 441.201°C at 760 mmHg (Cal.)
• Flash point: 189.911°C (Cal.)