[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-6-Methylidene-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 1100-17-0]

Identification

• Name: [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-6-Methylidene-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-6-Methylene-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-6-Methylene-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-6-Methylene-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.48
• CAS Registry Number: 1100-17-0
• SMILES: [C@@H]23CC(C1=CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C)C)C)=O)=C
• InChI: 1S/C22H30O3/c1-13-11-16-17-5-6-20(25-14(2)23)22(17,4)10-8-18(16)21(3)9-7-15(24)12-19(13)21/h12,16-18,20H,1,5-11H2,2-4H3/t16-,17-,18-,20-,21+,22-/m0/s1
• InChIKey: PNUPHAWFSSBOAI-RLZRBERESA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 460.258°C at 760 mmHg (Cal.)
• Flash point: 199.366°C (Cal.)