11beta,17,21-Trihydroxy-6alpha-Methylpregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
[CAS# 22252-38-6]

Identification

• Name: 11beta,17,21-Trihydroxy-6alpha-Methylpregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• Synonyms: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate; [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-6,10,13-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Dihydrogen Phosphate; 11Beta,17,21-Trihydroxy-6Alpha-Methylpregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• Molecular Formula: C₂₂H₃₁O₈P
• Molecular Weight: 454.46
• CAS Registry Number: 22252-38-6
• EINECS: 244-869-6
• SMILES: [C@H]24[C@H]1[C@@]([C@](C(CO[P](O)(O)=O)=O)(O)CC1)(C[C@@H]([C@@H]2[C@@]3(C(=CC(=O)C=C3)[C@H](C4)C)C)O)C
• InChI: 1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
• InChIKey: PWTIEVRZANUUHG-PJHHCJLFSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 673.483°C at 760 mmHg (Cal.)
• Flash point: 361.11°C (Cal.)