Inophyllum B
[CAS# 41135-06-2]

Identification

• Name: Inophyllum B
• Synonyms: (3S,4S,2R)-4-Hydroxy-2,3,10,10-Tetramethyl-8-Phenyl-2H-Pyrano[6,5-F]2H-Pyrano[6,5-H]Chroman-6-One; Aids-005829; Aids005829
• Molecular Formula: C₂₅H₂₄O₅
• Molecular Weight: 404.46
• CAS Registry Number: 41135-06-2
• SMILES: [C@@H]4(O)C3=C1OC(=O)C=C(C1=C2OC(C=CC2=C3O[C@@H]([C@H]4C)C)(C)C)C5=CC=CC=C5
• InChI: 1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21+/m1/s1
• InChIKey: BXENDTPSKAICGV-LKBUQDJMSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 564.721°C at 760 mmHg (Cal.)
• Flash point: 193.544°C (Cal.)