(14beta)-17alpha-Hydroxy-21-Acetyloxypregn-4-Ene-3,20-Dione
[CAS# 67462-36-6]

Identification

• Name: (14beta)-17alpha-Hydroxy-21-Acetyloxypregn-4-Ene-3,20-Dione
• Synonyms: [2-[(8R,9S,10R,13S,14R,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8R,9S,10R,13S,14R,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8R,9S,10R,13S,14R,17R)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₂O₅
• Molecular Weight: 388.50
• CAS Registry Number: 67462-36-6
• SMILES: [C@@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)COC(=O)C)C
• InChI: 1S/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3/t17-,18+,19-,21+,22+,23+/m1/s1
• InChIKey: HPAKILCZTKWIFK-AMHUQJERSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 537.865°C at 760 mmHg (Cal.)
• Flash point: 181.798°C (Cal.)