6-[[2,6-Dihydroxy-4-Methoxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-3,5-Dihydroxy-4,6-Dimethyl-2-(2-Methyl-1-Oxobutyl)-2,4-Cyclohexadien-1-One
[CAS# 65792-05-4]

Identification

• Classification: API >> Antiparasitic drug >> Anthelmintic
• Name: 6-[[2,6-Dihydroxy-4-Methoxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-3,5-Dihydroxy-4,6-Dimethyl-2-(2-Methyl-1-Oxobutyl)-2,4-Cyclohexadien-1-One
• Synonyms: (6S)-6-[(3-Butanoyl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Phenyl)Methyl]-3,5-Dihydroxy-4,6-Dimethyl-2-[(2R)-2-Methylbutanoyl]Cyclohexa-2,4-Dien-1-One; (6S)-6-[[2,6-Dihydroxy-4-Methoxy-3-Methyl-5-(1-Oxobutyl)Phenyl]Methyl]-3,5-Dihydroxy-4,6-Dimethyl-2-[(2R)-2-Methyl-1-Oxobutyl]-1-Cyclohexa-2,4-Dienone; (6S)-6-(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methyl-Benzyl)-3,5-Dihydroxy-4,6-Dimethyl-2-[(2R)-2-Methylbutanoyl]Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₂₆H₃₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 65792-05-4
• SMILES: [C@@]2(CC1=C(O)C(=C(OC)C(=C1O)C)C(=O)CCC)(C(=C(C(=C(C2=O)C(=O)[C@@H](CC)C)O)C)O)C
• InChI: 1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3/t12-,26+/m1/s1
• InChIKey: NQGCBDWQKDAGTK-RYZVSIALSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 712.95°C at 760 mmHg (Cal.)
• Flash point: 236.842°C (Cal.)