11alpha,21-Dihydroxypregn-4-Ene-3,20-Dione
[CAS# 600-67-9]

Identification

• Name: 11alpha,21-Dihydroxypregn-4-Ene-3,20-Dione
• Synonyms: (8S,9S,10R,11R,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11R,13S,14S,17S)-17-Glycoloyl-11-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,11R,13S,14S,17S)-11-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 600-67-9
• SMILES: [C@H]2([C@]1(C[C@H]([C@H]3[C@H]([C@@H]1CC2)CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO
• InChI: 1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17+,19+,20-,21-/m0/s1
• InChIKey: OMFXVFTZEKFJBZ-IIJALIKYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 529.247°C at 760 mmHg (Cal.)
• Flash point: 287.954°C (Cal.)