20-Dihydroprednisolonic Acid
[CAS# 62358-12-7]

Identification

• Name: 20-Dihydroprednisolonic Acid
• Synonyms: 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Acetic Acid; 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Acetic Acid; 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Hydroxy-Ethanoic Acid
• Molecular Formula: C₂₁H₂₈O₆
• Molecular Weight: 376.45
• CAS Registry Number: 62358-12-7
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(O)C(=O)O)C
• InChI: 1S/C21H28O6/c1-19-7-5-12(22)9-11(19)3-4-13-14-6-8-21(27,17(24)18(25)26)20(14,2)10-15(23)16(13)19/h5,7,9,13-17,23-24,27H,3-4,6,8,10H2,1-2H3,(H,25,26)/t13-,14-,15-,16+,17?,19-,20-,21-/m0/s1
• InChIKey: MABTYSTXQLOOCI-PEIJZJCNSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 623.032°C at 760 mmHg (Cal.)
• Flash point: 344.611°C (Cal.)