17,21-Dihydroxypregna-1,4-Diene-3,11,20-Trione 21-Pivalate
[CAS# 51192-49-5]

Identification

• Name: 17,21-Dihydroxypregna-1,4-Diene-3,11,20-Trione 21-Pivalate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2,2-Dimethylpropanoate; 2,2-Dimethylpropanoic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 2,2-Dimethylpropionic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₆H₃₄O₆
• Molecular Weight: 442.55
• CAS Registry Number: 51192-49-5
• EINECS: 257-043-5
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)C(C)(C)C)C
• InChI: 1S/C26H34O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-18,21,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,21+,24-,25-,26-/m0/s1
• InChIKey: FGBTZHGXCKUNFT-MOAAPXTLSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 598.742°C at 760 mmHg (Cal.)
• Flash point: 198.125°C (Cal.)