(6beta)-6,11,17,21-Tetrahydroxypregn-4-Ene-3,20-Dione
[CAS# 174866-45-6]

Identification

• Name: (6beta)-6,11,17,21-Tetrahydroxypregn-4-Ene-3,20-Dione
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.46
• CAS Registry Number: 174866-45-6
• SMILES: C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
• InChI: 1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1
• InChIKey: GNFTWPCIRXSCQF-UJXAPRPESA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 613.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 338.6±28.0°C (Cal.)
• Refractive index: 1.612 (Cal.)