(20S)-17,20,21-Trihydroxypregn-4-Ene-3,11-Dione
[CAS# 566-38-1]

Identification

• Name: (20S)-17,20,21-Trihydroxypregn-4-Ene-3,11-Dione
• Synonyms: 17,20β,21-Trihydroxypregn-4-ene-3,11-dione; 20β-dihydrocortisone; 4-pregnene-17 α,20 β,21-triol-3,11-dione
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.46
• CAS Registry Number: 566-38-1
• SMILES: O=C2C[C@]4([C@H]([C@@H]3CC\C1=C\C(=O)CC[C@]1(C)[C@@H]23)CC[C@]4(O)[C@@H](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/t14-,15-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: XBIDABJJGYNJTK-VDUMFTQRSA-N

Properties

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