(11beta,17alpha)-11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione
[CAS# 86002-90-6]

Identification

• Name: (11beta,17alpha)-11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.46
• CAS Registry Number: 86002-90-6
• SMILES: OCC(=O)[C@]4(O)CC[C@H]3C2CC\C1=C\C(=O)CC[C@]1(C)[C@H]2[C@@H](O)C[C@@]34CO
• InChI: 1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14?,15-,16-,18+,19-,20+,21+/m0/s1
• InChIKey: HESFZGWRDUVOMS-JPULPKKBSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 615.922°C at 760 mmHg (Cal.)
• Flash point: 340.315°C (Cal.)