4-O-Carboxymethylascochlorin
[CAS# 84435-25-6]

Identification

• Name: 4-O-Carboxymethylascochlorin
• Synonyms: 2-[2-Chloro-4-Formyl-5-Hydroxy-3-Methyl-6-[(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxo-Cyclohexyl]Penta-2,4-Dienyl]Phenoxy]Acetic Acid; 2-[2-Chloro-4-Formyl-5-Hydroxy-6-[(2E,4E)-5-[(1R,2R,6R)-3-Keto-1,2,6-Trimethyl-Cyclohexyl]-3-Methyl-Penta-2,4-Dienyl]-3-Methyl-Phenoxy]Acetic Acid; 2-[2-Chloro-5-Hydroxy-4-Methanoyl-3-Methyl-6-[(2E,4E)-3-Methyl-5-[(1R,2R,6R)-1,2,6-Trimethyl-3-Oxo-Cyclohexyl]Penta-2,4-Dienyl]Phenoxy]Ethanoic Acid
• Molecular Formula: C₂₅H₃₁ClO₆
• Molecular Weight: 462.97
• CAS Registry Number: 84435-25-6
• SMILES: [C@@]1([C@H](C(=O)CC[C@H]1C)C)(\C=C\C(=C\CC2=C(OCC(=O)O)C(=C(C(=C2O)C=O)C)Cl)C)C
• InChI: 1S/C25H31ClO6/c1-14(10-11-25(5)15(2)7-9-20(28)17(25)4)6-8-18-23(31)19(12-27)16(3)22(26)24(18)32-13-21(29)30/h6,10-12,15,17,31H,7-9,13H2,1-5H3,(H,29,30)/b11-10+,14-6+/t15-,17+,25+/m1/s1
• InChIKey: YRRAKQFQGINEPT-KPKJWKMQSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 611.209°C at 760 mmHg (Cal.)
• Flash point: 323.448°C (Cal.)