11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
[CAS# 302-25-0]

Identification

• Name: 11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• Synonyms: [2-(11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Oxo-Ethyl] Dihydrogen Phosphate; [2-(11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl)-2-Keto-Ethyl] Dihydrogen Phosphate; 11Beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• Molecular Formula: C₂₁H₂₉O₈P
• Molecular Weight: 440.43
• CAS Registry Number: 302-25-0
• EINECS: 206-120-1
• SMILES: C(O[P](=O)(O)O)C(=O)C4(O)C3(C(C2C(C1(C(=CC(=O)C=C1)CC2)C)C(O)C3)CC4)C
• InChI: 1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)
• InChIKey: JDOZJEUDSLGTLU-UHFFFAOYSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 674.845°C at 760 mmHg (Cal.)
• Flash point: 361.933°C (Cal.)