19,21-Dihydroxy-Pregn-4-ene-3,20-dione
[CAS# 2394-23-2]

Identification

• Name: 19,21-Dihydroxy-Pregn-4-ene-3,20-dione
• Synonyms: (8S,9S,10S,13S,14S,17S)-10-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-13-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10S,13S,14S,17S)-17-Glycoloyl-13-Methyl-10-Methylol-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10S,13S,14S,17S)-17-(2-Hydroxyethanoyl)-10-(Hydroxymethyl)-13-Methyl-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: 2394-23-2
• SMILES: [C@]34([C@H]([C@@H]2CCC1=CC(CC[C@@]1([C@H]2CC3)CO)=O)CC[C@@H]4C(=O)CO)C
• InChI: 1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
• InChIKey: LFISWQXWWGJHBL-ZOCXKQACSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 538.732°C at 760 mmHg (Cal.)
• Flash point: 293.684°C (Cal.)