2,6-Dibromospirost-4-Ene-3-One
[CAS# 117572-30-2]

Identification

• Name: 2,6-Dibromospirost-4-Ene-3-One
• Synonyms: 2,6-Dibromospirost-4-En-3-One (2Alpha,6Beta,25R)-; 2,6-Dibromospirost-4-Ene-3-One; Spirost-4-En-3-One, 2,6-Dibromo-, (2Alpha,6Beta,25R)-
• Molecular Formula: C₂₇H₃₈Br₂O₃
• Molecular Weight: 570.40
• CAS Registry Number: 117572-30-2
• SMILES: [C@H]34[C@@]([C@@H]2[C@@H](OC1(OC[C@@H](CC1)C)[C@H]2C)C3)(CC[C@H]5[C@H]4C[C@@H](Br)C6=CC(=O)[C@H](Br)C[C@]56C)C
• InChI: 1S/C27H38Br2O3/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-22(30)21(29)12-26(19,4)17(16)6-7-25(18,24)3/h10,14-18,20-21,23-24H,5-9,11-13H2,1-4H3/t14-,15+,16-,17+,18+,20-,21-,23+,24+,25+,26-,27?/m1/s1
• InChIKey: DBLMLRCDNYKIBP-ALLUPWGQSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 589.731°C at 760 mmHg (Cal.)
• Flash point: 310.458°C (Cal.)