4-Pregnene-3,20-Dione 3-[O-Carboxymethyl]Oxime
[CAS# 50909-89-2]

Identification

• Name: 4-Pregnene-3,20-Dione 3-[O-Carboxymethyl]Oxime
• Synonyms: 2-[[(10R,13S,17S)-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyethanoic Acid; Acetic Acid, (((20-Oxopregn-4-En-3-Ylidene)Amino)Oxy)-
• Molecular Formula: C₂₃H₃₃NO₄
• Molecular Weight: 387.52
• CAS Registry Number: 50909-89-2
• SMILES: [C@]34(C(C2C([C@@]1(C(=CC(=N/OCC(=O)O)\CC1)CC2)C)CC3)CC[C@@H]4C(=O)C)C
• InChI: 1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-16-/t17?,18-,19?,20?,22+,23-/m1/s1
• InChIKey: PPELYUTTZHLIAZ-QYEPVNHZSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 537.519°C at 760 mmHg (Cal.)
• Flash point: 278.882°C (Cal.)