(11beta)-11,18-Epoxy-21-Hydroxypregn-4-Ene-3,20-Dione
[CAS# 2507-88-2]

Identification

• Name: (11beta)-11,18-Epoxy-21-Hydroxypregn-4-Ene-3,20-Dione
• Synonyms: 18-Deoxyaldosterone; 21-Hydroxy-11Beta,18-Oxido-4-Pregnene-3,20-Dione
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 2507-88-2
• SMILES: [C@@H]14[C@H]([C@H]3C2(C[C@@H]1OC2)[C@H](CC3)C(=O)CO)CCC5=CC(=O)CC[C@]45C
• InChI: 1S/C21H28O4/c1-20-7-6-13(23)8-12(20)2-3-14-15-4-5-16(17(24)10-22)21(15)9-18(19(14)20)25-11-21/h8,14-16,18-19,22H,2-7,9-11H2,1H3/t14-,15-,16+,18-,19+,20-,21?/m0/s1
• InChIKey: ZEBLTAXSHAKMDJ-QBSCYWOBSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 537.236°C at 760 mmHg (Cal.)
• Flash point: 190.38°C (Cal.)