[(8S,9S,10R,13R,14S,17S)-17-Acetyl-10,13-Dimethyl-2,7,8,9,11,12,14,15, 16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 4954-06-7]

Identification

• Name: [(8S,9S,10R,13R,14S,17S)-17-Acetyl-10,13-Dimethyl-2,7,8,9,11,12,14,15, 16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid (17-Acetyl-10,13-Dimethyl-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ester; (17-Ethanoyl-10,13-Dimethyl-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ethanoate; 20-Oxopregna-3,5-Dien-3-Yl Acetate
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.50
• CAS Registry Number: 4954-06-7
• SMILES: CC34C(C1C(C2(C(=CC1)C=C(OC(=O)C)CC2)C)CC3)CCC4C(=O)C
• InChI: 1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,13,18-21H,6-12H2,1-4H3
• InChIKey: YIPYJRPRHUJJDP-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 492.026°C at 760 mmHg (Cal.)
• Flash point: 212.951°C (Cal.)