(11b)-11,17,21-Trihydroxy-3,20-dioxo-Pregn-4-en-18-al
[CAS# 2410-60-8]

Identification

• Name: (11b)-11,17,21-Trihydroxy-3,20-dioxo-Pregn-4-en-18-al
• Synonyms: (8S,9S,10R,11S,13R,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10-Methyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-13-Carboxaldehyde; (8S,9S,10R,11S,13R,14S,17R)-17-Glycoloyl-11,17-Dihydroxy-3-Keto-10-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-13-Carbaldehyde; (8S,9S,10R,11S,13R,14S,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10-Methyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-13-Carbaldehyde
• Molecular Formula: C₂₁H₂₈O₆
• Molecular Weight: 376.45
• CAS Registry Number: 2410-60-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)CO)C=O
• InChI: 1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
• InChIKey: XUQWWIFROYJHCU-UKSDXMLSSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 606.392°C at 760 mmHg (Cal.)
• Flash point: 334.558°C (Cal.)