Cacalohastine
[CAS# 52078-95-2]

Identification

• Name: Cacalohastine
• Synonyms: (5S)-9-Methoxy-3,4,5-Trimethyl-5,6-Dihydrobenzo[F]Benzofuran; (+-)-5,6-Dihydro-9-Methoxy-3,4,5-Trimethylnaphtho(2,3-B)Furan; Cacalohastin
• Molecular Formula: C₁₆H₁₈O₂
• Molecular Weight: 242.32
• CAS Registry Number: 52078-95-2
• SMILES: [C@H]3(C1=C(C(=C2C(=C1C)C(=CO2)C)OC)C=CC3)C
• InChI: 1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1
• InChIKey: WCJNJWNPAYBQPW-VIFPVBQESA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 386.605°C at 760 mmHg (Cal.)
• Flash point: 203.638°C (Cal.)