(17Z)-11beta,21-Dihydroxypregna-1,4,17(20)-Trien-3-One 21-Acetate
[CAS# 28449-43-6]

Identification

• Name: (17Z)-11beta,21-Dihydroxypregna-1,4,17(20)-Trien-3-One 21-Acetate
• Synonyms: Acetic Acid [(2Z)-2-(11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ylidene)Ethyl] Ester; Acetic Acid [(2Z)-2-(11-Hydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ylidene)Ethyl] Ester; [(2Z)-2-(11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Ylidene)Ethyl] Ethanoate
• Molecular Formula: C₂₃H₃₀O₄
• Molecular Weight: 370.49
• CAS Registry Number: 28449-43-6
• EINECS: 249-026-6
• SMILES: C(OC(=O)C)/C=C/4C3(C(C2C(C1(C(=CC(=O)C=C1)CC2)C)C(O)C3)CC4)C
• InChI: 1S/C23H30O4/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/h8-10,12,18-21,26H,4-7,11,13H2,1-3H3/b15-9-
• InChIKey: SXDJNTFEKRMWCP-DHDCSXOGSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 522.151°C at 760 mmHg (Cal.)
• Flash point: 177.512°C (Cal.)