delta(1)-11-Oxa-11-Deoxycortisol
[CAS# 84876-00-6]

Identification

• Name: delta(1)-11-Oxa-11-Deoxycortisol
• Synonyms: 11-Oxapregna-1,4-Diene-3,20-Dione, 17,21-Dihydroxy-; Delta(1)-11-Oxa-11-Deoxycortisol
• Molecular Formula: C₂₀H₂₆O₅
• Molecular Weight: 346.42
• CAS Registry Number: 84876-00-6
• SMILES: [C@H]12[C@H]4[C@H](OC[C@@]1([C@](O)(CC2)C(=O)CO)C)[C@@]3(C(=CC(=O)C=C3)CC4)C
• InChI: 1S/C20H26O5/c1-18-7-5-13(22)9-12(18)3-4-14-15-6-8-20(24,16(23)10-21)19(15,2)11-25-17(14)18/h5,7,9,14-15,17,21,24H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-/m0/s1
• InChIKey: XKTYTTFSGKVSTC-MWTXUKJESA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 549.211°C at 760 mmHg (Cal.)
• Flash point: 195.623°C (Cal.)