(11beta)-11,18,21-Trihydroxypregna-1,4-diene-3,20-dione
[CAS# 76959-24-5]

Identification

• Name: (11beta)-11,18,21-Trihydroxypregna-1,4-diene-3,20-dione
• Synonyms: 1,4-PREGNADIEN-11-β,18,21-DIOL-3,20-DIONE
• Molecular Formula: C₂₁H₂₈O₅
• Molecular Weight: 360.44
• CAS Registry Number: 76959-24-5
• SMILES: C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
• InChI: 1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h6-8,14-17,19,22-23,25H,2-5,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
• InChIKey: NQRIKQLQQGVSIZ-ZVIOFETBSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 582.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 320.0±26.6°C (Cal.)