17,20,21-Trihydroxypregn-4-Ene-3,11-Dione
[CAS# 116-59-6]

Identification

• Name: 17,20,21-Trihydroxypregn-4-Ene-3,11-Dione
• Synonyms: 4-Pregnene-17a,20b,21-triol-3,11-dione
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.46
• CAS Registry Number: 116-59-6
• SMILES: O=C2CC4(C(C3CC\C1=C\C(=O)CCC1(C)C23)CCC4(O)C(O)CO)C
• InChI: 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3
• InChIKey: XBIDABJJGYNJTK-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 588.152°C at 760 mmHg (Cal.)
• Flash point: 323.539°C (Cal.)
• Refractive index: 1.595 (Cal.)