(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyldocosa-2,4,8,10,14,18,20-Heptaenedioic Acid
[CAS 11076-19-0]

Identification

• Name: (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyldocosa-2,4,8,10,14,18,20-Heptaenedioic Acid
• Synonyms: (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-Methoxy-2,5,17-Trimethyl-Docosa-2,4,8,10,14,18,20-Heptaenedioic Acid; 3-Carboxymethyl-17-Methoxy-6,18,21-Trimethyldocosa-2,4,8,12,14,18,20-Heptaenedioic Acid; Bongkrekic Acid
• Molecular Formula: C₂₈H₃₈O₇
• Molecular Weight: 486.60
• CAS Registry Number: 11076-19-0
• SMILES: [C@H](OC)(\C(=C/C=C(C(=O)O)\C)C)C\C=C/C=C/CC/C=C/C[C@@H](\C=C\C(=C/C(=O)O)CC(=O)O)C
• 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+/t21-,25+/m0/s1
• InChIKey: SHCXABJSXUACKU-WUTQZGRKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 715.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 231.0±26.4°C (Cal.)

References

• (1): Francais Antoine, Leyva Antonio, Etxebarria-Jardi Gorka, Ley Steven V.. Total Synthesis of the Anti-Apoptotic Agents Iso- and Bongkrekic Acids, Organic Letters, 2009