Mono(3-butyl-8-(9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl)-2-(4-carboxy-3-methyl-1,3-butadienyl)-9-methyl-1,7-dioxaspiro(5.5)undec-3-yl) butanedioate
[CAS# 134615-37-5]

Identification

• Name: Mono(3-butyl-8-(9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl)-2-(4-carboxy-3-methyl-1,3-butadienyl)-9-methyl-1,7-dioxaspiro(5.5)undec-3-yl) butanedioate
• Synonyms: (2E,6E,8E)-10-[3-Butyl-2-[(1E,3E)-5-Hydroxy-3-Methyl-5-Oxo-Penta-1,3-Dienyl]-3-(4-Hydroxy-4-Oxo-Butanoyl)Oxy-9-Methyl-1,7-Dioxaspiro[5.5]Undecan-8-Yl]-5-Hydroxy-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid; (2E,6E,8E)-10-[3-Butyl-3-(4-Hydroxy-1,4-Dioxobutoxy)-2-[(1E,3E)-5-Hydroxy-3-Methyl-5-Oxopenta-1,3-Dienyl]-9-Methyl-1,7-Dioxaspiro[5.5]Undecan-8-Yl]-5-Hydroxy-4,8-Dimethyldeca-2,6,8-Trienoic Acid; (2E,6E,8E)-10-[3-Butyl-3-(4-Hydroxy-4-Keto-Butanoyl)Oxy-2-[(1E,3E)-5-Hydroxy-5-Keto-3-Methyl-Penta-1,3-Dienyl]-9-Methyl-1,7-Dioxaspiro[5.5]Undecan-8-Yl]-5-Hydroxy-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid
• Molecular Formula: C₃₆H₅₂O₁₁
• Molecular Weight: 660.80
• CAS Registry Number: 134615-37-5
• SMILES: C(C2(OC(=O)CCC(=O)O)C(OC1(OC(C(CC1)C)C\C=C(\C=C\C(O)C(\C=C\C(=O)O)C)C)CC2)\C=C\C(=C\C(=O)O)C)CCC
• InChI: 1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+
• InChIKey: ZESGNAJSBDILTB-QYXLSQDFSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 849.021°C at 760 mmHg (Cal.)
• Flash point: 258.687°C (Cal.)