(11beta)-2,11,21-Trihydroxy-3,20-Dioxopregn-4-En-18-Al
[CAS# 147199-27-7]

Identification

• Name: (11beta)-2,11,21-Trihydroxy-3,20-Dioxopregn-4-En-18-Al
• Synonyms: 2-hydroxyaldosterone
• Molecular Formula: C₂₁H₂₈O₆
• Molecular Weight: 376.44
• CAS Registry Number: 147199-27-7
• SMILES: OCC(=O)[C@H]4CC[C@@H]2[C@@]4(C[C@H](O)[C@@H]1[C@@]3(C)CC(O)C(=O)/C=C3/CC[C@H]12)C=O
• InChI: 1S/C21H28O6/c1-20-7-16(25)15(24)6-11(20)2-3-12-13-4-5-14(18(27)9-22)21(13,10-23)8-17(26)19(12)20/h6,10,12-14,16-17,19,22,25-26H,2-5,7-9H2,1H3/t12-,13-,14+,16?,17-,19+,20-,21+/m0/s1
• InChIKey: LXGGKRQZMMIKOH-KOMLXTAOSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 611.577°C at 760 mmHg (Cal.)
• Flash point: 337.69°C (Cal.)
• Refractive index: 1.602 (Cal.)