21-Hydroxy-5beta-Pregnane-3,20-Dione 21-(Hydrogen Succinate)
[CAS# 80-96-6]

Identification

• Name: 21-Hydroxy-5beta-Pregnane-3,20-Dione 21-(Hydrogen Succinate)
• Synonyms: 4-[2-[(5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]-4-Oxo-Butanoic Acid; 4-Keto-4-[2-Keto-2-[(5R,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Ethoxy]Butyric Acid; 21-Hydroxy-5Beta-Pregnane-3,20-Dione 21-(Hydrogen Succinate)
• Molecular Formula: C₂₅H₃₆O₆
• Molecular Weight: 432.56
• CAS Registry Number: 80-96-6
• EINECS: 201-314-2
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1([C@@H](CC(=O)CC1)CC2)C)CC[C@@]3([C@@H](C(COC(CCC(O)=O)=O)=O)CC4)C
• InChI: 1S/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)/t15-,17+,18+,19+,20-,24+,25+/m1/s1
• InChIKey: KLRNMIUKAXHHFS-ZILYODKUSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 594.142°C at 760 mmHg (Cal.)
• Flash point: 197.403°C (Cal.)