14,21-Dihydroxypregn-4-Ene-3,20-Dione
[CAS# 595-71-1]

Identification

• Name: 14,21-Dihydroxypregn-4-Ene-3,20-Dione
• Synonyms: (8R,9S,10R,13R,14R,17S)-14-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13R,14R,17S)-17-Glycoloyl-14-Hydroxy-10,13-Dimethyl-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13R,14R,17S)-14-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 595-71-1
• SMILES: [C@H]1(C(CO)=O)CC[C@@]3([C@]1(C)CC[C@@H]4[C@@]2(C(=CC(=O)CC2)CC[C@@H]34)C)O
• InChI: 1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-16-15(19)6-9-20(2)17(18(24)12-22)7-10-21(16,20)25/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19-,20+,21+/m0/s1
• InChIKey: XKCAPZYNIKDWOX-VLWQACTDSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 522.809°C at 760 mmHg (Cal.)
• Flash point: 284.065°C (Cal.)