(11beta)-21-(Acetyloxy)-11-Hydroxy-Pregn-4-Ene-3,20-Dione
[CAS# 1173-26-8]

Identification

• Classification: Analytical chemistry >> Standard >> Analytical standard
• Name: (11beta)-21-(Acetyloxy)-11-Hydroxy-Pregn-4-Ene-3,20-Dione
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₂O₅
• Molecular Weight: 388.50
• CAS Registry Number: 1173-26-8
• EINECS: 214-635-8
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)C)C
• InChI: 1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1
• InChIKey: WKQCPUMQBMFPLC-ZWFCQKKLSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Melting point: 151°C (Expl.)
• Boiling point: 542.165°C at 760 mmHg (Cal.)
• Flash point: 183.55°C (Cal.)