(2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol
[CAS# 89329-12-4]

Identification

• Name: (2R,3S)-2-[2-(4-Nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-3,5,7-chromanetriol
• Synonyms: (2R-trans)-3,4-dihydro-2-[2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl]-2H-1-benzopyran-3,5,7-triol
• Molecular Formula: C₂₈H₂₁NO₈
• Molecular Weight: 499.47
• CAS Registry Number: 89329-12-4
• EINECS: 289-490-7
• SMILES: [O-][N+](=O)c1ccc(cc1)C2(Oc3ccc(cc3O2)[C@H]4Oc5cc(O)cc(O)c5C[C@@H]4O)c6ccccc6
• InChI: 1S/C28H21NO8/c30-20-13-22(31)21-15-23(32)27(35-25(21)14-20)16-6-11-24-26(12-16)37-28(36-24,17-4-2-1-3-5-17)18-7-9-19(10-8-18)29(33)34/h1-14,23,27,30-32H,15H2/t23-,27+,28?/m0/s1
• InChIKey: TZIOWTSBLLCTJO-QFIHXRDCSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 746.33°C at 760 mmHg (Cal.)
• Flash point: 405.166°C (Cal.)