(5alpha,11beta)-11,21-Dihydroxy-3,20-dioxopregnan-18-al
[CAS# 70952-53-3]

Identification

• Name: (5alpha,11beta)-11,21-Dihydroxy-3,20-dioxopregnan-18-al
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.46
• CAS Registry Number: 70952-53-3
• SMILES: OCC(=O)[C@H]4CC[C@@H]3[C@@]4(C[C@H](O)[C@H]1[C@H]3CC[C@H]2CC(=O)CC[C@]12C)C=O
• InChI: 1S/C21H30O5/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/h11-12,14-17,19,22,25H,2-10H2,1H3/t12-,14-,15-,16+,17-,19+,20-,21+/m0/s1
• InChIKey: IIBOWSHDTFRYKU-WHIQTFJJSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 545.555°C at 760 mmHg (Cal.)
• Flash point: 297.806°C (Cal.)