Asperugin B
[CAS# 14522-05-5]

Identification

• Name: Asperugin B
• Synonyms: 1,2-Benzenedicarboxaldehyde, 3,5-Dihydroxy-4-((3,7,11-Trimethyl-2,6,10-Dodecatrienyl)Oxy)-, (E,E)-; Asperugin B
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.49
• CAS Registry Number: 14522-05-5
• SMILES: C1=C(C(=C(O)C(=C1O)OC\C=C(\CC\C=C(\CCC=C(C)C)C)C)C=O)C=O
• InChI: 1S/C23H30O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-28-23-21(26)13-19(14-24)20(15-25)22(23)27/h7,9,11,13-15,26-27H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+
• InChIKey: UDBSZUYIWDXRKO-XURGJTJWSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 551.422°C at 760 mmHg (Cal.)
• Flash point: 184.113°C (Cal.)