3-Oxopregna-1,4-Diene-20-Carboxylic Acid
[CAS# 71154-85-3]

Identification

• Name: 3-Oxopregna-1,4-Diene-20-Carboxylic Acid
• Synonyms: 2-[(8S,9S,10R,13S,14S,17R)-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 3-Oxo-Bisnorchola-1,4-Dien-22-Oic Acid; 3-Oxopregna-1,4-Diene-20-Carboxylic Acid
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.48
• CAS Registry Number: 71154-85-3
• EINECS: 275-222-6
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(C(=O)O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)C=C3)CC4)C)C
• InChI: 1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13?,16-,17+,18-,19-,21-,22+/m0/s1
• InChIKey: OZESBBVMFLIODA-VJFOQZSSSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 507.828°C at 760 mmHg (Cal.)
• Flash point: 275.015°C (Cal.)