(3R,3aS,4R,7S,7aS)-7-Bromo-3-{[(1R,4S)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl](hydroxy)methyl}-4,7a-dimethyloctahydro-1H-inden-4-ol
[CAS# 67506-12-1]

Identification

• Name: (3R,3aS,4R,7S,7aS)-7-Bromo-3-{[(1R,4S)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl](hydroxy)methyl}-4,7a-dimethyloctahydro-1H-inden-4-ol
• Synonyms: irieol E
• Molecular Formula: C₂₀H₃₄Br₂O₃
• Molecular Weight: 482.29
• CAS Registry Number: 67506-12-1
• SMILES: Br[C@H]1CC[C@@](O)(C[C@]1(C)C)C(O)[C@@H]3CC[C@]2(C)[C@@H](Br)CC[C@](O)(C)[C@H]23
• InChI: 1S/C20H34Br2O3/c1-17(2)11-20(25,10-7-13(17)21)16(23)12-5-8-18(3)14(22)6-9-19(4,24)15(12)18/h12-16,23-25H,5-11H2,1-4H3/t12-,13+,14+,15+,16?,18-,19-,20-/m1/s1
• InChIKey: WRUVQRPAWFBJNC-QISJWDMCSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 523.427°C at 760 mmHg (Cal.)
• Flash point: 270.359°C (Cal.)