(6R,17S,2E,4Z,8Z,10E,14E,18E,20E)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyl-2,4,8,10,14,18,20-Docosaheptenedioic Acid
[CAS# 60132-21-0]

Identification

• Name: (6R,17S,2E,4Z,8Z,10E,14E,18E,20E)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyl-2,4,8,10,14,18,20-Docosaheptenedioic Acid
• Synonyms: (2E,4Z,8Z,10E,14E,18E,20Z)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyl-Docosa-2,4,8,10,14,18,20-Heptaenedioic Acid; Bonqkrekic Acid; Nsc112904
• Molecular Formula: C₂₈H₃₈O₇
• Molecular Weight: 486.60
• CAS Registry Number: 60132-21-0
• SMILES: C(C(=C/C(O)=O)/C=C/C(C)C\C=C\CC\C=C\C=C/CC(C(=C\C=C(/C)C(O)=O)/C)OC)C(=O)O
• InChI: 1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+
• InChIKey: SHCXABJSXUACKU-FKGXVRENSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 715.082°C at 760 mmHg (Cal.)
• Flash point: 231.025°C (Cal.)