9,17-Dibromo-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 61339-40-0]

Identification

• Name: 9,17-Dibromo-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8S,10S,11S,13S,14S,16R,17R)-9,17-Dibromo-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₄H₃₀Br₂O₅
• Molecular Weight: 558.31
• CAS Registry Number: 61339-40-0
• EINECS: 262-720-3
• 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(COC(=O)C)=O)Br)C)C
• InChI: 1S/C24H30Br2O5/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)24(17,26)19(29)11-22(18,4)23(13,25)20(30)12-31-14(2)27/h7-8,10,13,17-19,29H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24?/m1/s1
• InChIKey: ONLDLCRQNRBPRP-LNYRPZQSSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 611.311°C at 760 mmHg (Cal.)
• Flash point: 323.509°C (Cal.)