11beta,17alpha-Dihydroxy-21-methylpregna-1,4-diene-3,20,21-trione 17-acetate
[CAS# 912-18-5]

Identification

• Name: 11beta,17alpha-Dihydroxy-21-methylpregna-1,4-diene-3,20,21-trione 17-acetate
• Synonyms: Acetic Acid [(10R,11S,13S,17S)-17-(1,2-Dioxopropyl)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(10R,11S,13S,17S)-11-Hydroxy-3-Keto-10,13-Dimethyl-17-Pyruvoyl-7,8,9,11,12,14,15,16-Oc
• Molecular Formula: C₂₄H₃₀O₆
• Molecular Weight: 414.50
• CAS Registry Number: 912-18-5
• SMILES: [C@]14([C@@](OC(=O)C)(CCC1C3C([C@@]2(C(=CC(=O)C=C2)CC3)C)[C@@H](O)C4)C(=O)C(=O)C)C
• InChI: 1S/C24H30O6/c1-13(25)21(29)24(30-14(2)26)10-8-18-17-6-5-15-11-16(27)7-9-22(15,3)20(17)19(28)12-23(18,24)4/h7,9,11,17-20,28H,5-6,8,10,12H2,1-4H3/t17?,18?,19-,20?,22-,23-,24+/m0/s1
• InChIKey: ZTJCOOSHTYASGD-BMHVCNBKSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 555.379°C at 760 mmHg (Cal.)
• Flash point: 186.538°C (Cal.)