11beta,21-Dihydroxypregna-4,17(20)-Dien-3-One 21-Acetate
[CAS# 5327-59-3]

Identification

• Name: 11beta,21-Dihydroxypregna-4,17(20)-Dien-3-One 21-Acetate
• Synonyms: Acetic Acid [(2E)-2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]Ethyl] Ester; Acetic Acid [(2E)-2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]Ethyl] Ester; [(2E)-2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]Ethyl] Ethanoate
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50
• CAS Registry Number: 5327-59-3
• EINECS: 226-209-9
• SMILES: [C@]3\4([C@H]([C@@H]2CCC1=CC(=O)CC[C@@]1([C@H]2[C@H](C3)O)C)CCC4=C\COC(C)=O)C
• InChI: 1S/C23H32O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h9,12,18-21,26H,4-8,10-11,13H2,1-3H3/b15-9+/t18-,19-,20-,21+,22-,23+/m0/s1
• InChIKey: SUFJHQFIKDZJAJ-VQHCNBGJSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 519.661°C at 760 mmHg (Cal.)
• Flash point: 175.57°C (Cal.)