1,12alpha-Dihydro-6,8-Dihydroxy-1-(1-Hydroxy-1-Methylethyl)-4-Methyl-9-(3-Methyl-2-Butenyl)-[1]Benzopyrano[4,5-bc][1]Benzoxepin-7(2H)-One
[CAS# 50875-10-0]

Identification

• Name: 1,12alpha-Dihydro-6,8-Dihydroxy-1-(1-Hydroxy-1-Methylethyl)-4-Methyl-9-(3-Methyl-2-Butenyl)-[1]Benzopyrano[4,5-bc][1]Benzoxepin-7(2H)-One
• Synonyms: Arugosin C
• Molecular Formula: C₂₅H₂₈O₆
• Molecular Weight: 424.49
• CAS Registry Number: 50875-10-0
• SMILES: C1=C(C)C4=C3C(=C1O)C(C2=C(C=CC(=C2O)CC=C(C)C)OC3C(C(O)(C)C)CO4)=O
• InChI: 1S/C25H28O6/c1-12(2)6-7-14-8-9-17-19(21(14)27)22(28)18-16(26)10-13(3)23-20(18)24(31-17)15(11-30-23)25(4,5)29/h6,8-10,15,24,26-27,29H,7,11H2,1-5H3
• InChIKey: MYJGUMZTENHAAQ-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 626.64°C at 760 mmHg (Cal.)
• Flash point: 213.574°C (Cal.)