2,5-Dihydroxy-3-[(Z)-16-(2-Hydroxy-5-Methoxy-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-8-Hexadecenyl]-6-Methyl-2,5-Cyclohexadiene-1,4-Dione
[CAS# 18761-04-1]

Identification

• Name: 2,5-Dihydroxy-3-[(Z)-16-(2-Hydroxy-5-Methoxy-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-8-Hexadecenyl]-6-Methyl-2,5-Cyclohexadiene-1,4-Dione
• Synonyms: 2,5-Dihydroxy-3-[(E)-16-(2-Hydroxy-5-Methoxy-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Hexadec-8-Enyl]-6-Methyl-1,4-Benzoquinone; 2,5-Dihydroxy-3-[(E)-16-(2-Hydroxy-3,6-Diketo-5-Methoxy-1-Cyclohexa-1,4-Dienyl)Hexadec-8-Enyl]-6-Methyl-P-Benzoquinone; 2,5-Dihydroxy-3-[(E)-16-(2-Hydroxy-5-Methoxy-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Hexadec-8-Enyl]-6-Methyl-Cyclohexa-2,5-Diene-1,4-Dione
• Molecular Formula: C₃₀H₄₀O₈
• Molecular Weight: 528.64
• CAS Registry Number: 18761-04-1
• SMILES: C(C1=C(C(C(=C(C1=O)O)C)=O)O)CCCCCC/C=C/CCCCCCCC2=C(C(C=C(C2=O)OC)=O)O
• InChI: 1S/C30H40O8/c1-20-25(32)29(36)22(30(37)26(20)33)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-27(34)23(31)19-24(38-2)28(21)35/h3-4,19,32,34,37H,5-18H2,1-2H3/b4-3+
• InChIKey: KRSLVFPYJNSDEQ-ONEGZZNKSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 704.805°C at 760 mmHg (Cal.)
• Flash point: 224.217°C (Cal.)