(8alpha,9beta,11alpha)-11-Bromo-8,9,10,11-Tetrahydro-Benz(a)Anthracene-8,9-Diol Dibenzoate
[CAS# 60968-14-1]

Identification

• Name: (8alpha,9beta,11alpha)-11-Bromo-8,9,10,11-Tetrahydro-Benz(a)Anthracene-8,9-Diol Dibenzoate
• Synonyms: Benzoic Acid [(8S,9S,11S)-11-Bromo-8-(Oxo-Phenylmethoxy)-8,9,10,11-Tetrahydrobenzo[B]Phenanthren-9-Yl] Ester; Benzoic Acid [(8S,9S,11S)-8-(Benzoyloxy)-11-Bromo-8,9,10,11-Tetrahydrobenzo[B]Phenanthren-9-Yl] Ester; [(8S,9S,11S)-11-Bromo-8-Phenylcarbonyloxy-8,9,10,11-Tetrahydrobenzo[B]Phenanthren-9-Yl] Benzoate
• Molecular Formula: C₃₂H₂₃BrO₄
• Molecular Weight: 551.44
• CAS Registry Number: 60968-14-1
• SMILES: [C@@H]1(C5=C([C@H](C[C@@H]1OC(C2=CC=CC=C2)=O)Br)C=C4C3=CC=CC=C3C=CC4=C5)OC(C6=CC=CC=C6)=O
• InChI: 1S/C32H23BrO4/c33-28-19-29(36-31(34)21-10-3-1-4-11-21)30(37-32(35)22-12-5-2-6-13-22)27-17-23-16-15-20-9-7-8-14-24(20)25(23)18-26(27)28/h1-18,28-30H,19H2/t28-,29-,30-/m0/s1
• InChIKey: RPPYHVHWFLREQQ-DTXPUJKBSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 691.683°C at 760 mmHg (Cal.)
• Flash point: 372.117°C (Cal.)