9,17-Dibromo-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione
[CAS# 61339-42-2]

Identification

• Name: 9,17-Dibromo-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione
• Synonyms: (8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-17-Glycoloyl-11-Hydroxy-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-11-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₂₈Br₂O₄
• Molecular Weight: 516.27
• CAS Registry Number: 61339-42-2
• EINECS: 262-722-4
• SMILES: [C@]34([C@H]([C@H]2C([C@@]1(C(=CC(C=C1)=O)CC2)C)([C@H](C3)O)Br)C[C@H]([C@@]4(C(=O)CO)Br)C)C
• InChI: 1S/C22H28Br2O4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)22(15,24)17(27)10-20(16,3)21(12,23)18(28)11-25/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22?/m1/s1
• InChIKey: ABWOTFZUTTYNAA-VBCPKWTRSA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 600.335°C at 760 mmHg (Cal.)
• Flash point: 316.871°C (Cal.)