11beta,21-Dihydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-pivalate
[CAS# 78806-68-5]

Identification

• Name: 11beta,21-Dihydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-pivalate
• Synonyms: 11Beta,21-Dihydroxy-16Alpha,17-(Isopropylidenedioxy)Pregna-1,4-Diene-3,20-Dione 21-Pivalate
• Molecular Formula: C₂₉H₄₀O₇
• Molecular Weight: 500.63
• CAS Registry Number: 78806-68-5
• EINECS: 278-984-8
• SMILES: [C@]12(OC(O[C@@H]1C[C@@H]3[C@@]2(CC(O)[C@H]4C3CCC5=CC(=O)C=C[C@]45C)C)(C)C)C(=O)COC(=O)C(C)(C)C
• InChI: 1S/C29H40O7/c1-25(2,3)24(33)34-15-21(32)29-22(35-26(4,5)36-29)13-19-18-9-8-16-12-17(30)10-11-27(16,6)23(18)20(31)14-28(19,29)7/h10-12,18-20,22-23,31H,8-9,13-15H2,1-7H3/t18?,19-,20?,22+,23+,27-,28-,29+/m0/s1
• InChIKey: FAPMGCFSVXGXMO-NJRCARCYSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 612.096°C at 760 mmHg (Cal.)
• Flash point: 195.377°C (Cal.)